 Entering Gaussian System, Link 0=g16
 Input=06_betapinene_STD_B3LYPDBJ-augccpVDZr.in
 Output=06_betapinene_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/06_betapinene_STD/Gau-66940.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/06_betapinene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     66941.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 9-Jul-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=128GB
 %chk=06_betapinene_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul  9 20:32:18 2021, MaxMem= 17179869184 cpu:               1.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "06_betapinene_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.736209000000      0.801878000000      0.378732000000
  C                                                 0.496901000000      1.638940000000      0.787068000000
  C                                                 1.383096000000     -0.522443000000     -0.274501000000
  C                                                 2.201969000000     -1.569072000000     -0.279208000000
  C                                                 0.025556000000     -0.542713000000     -0.909694000000
  C                                                -1.066183000000     -0.286051000000      0.196211000000
  C                                                -0.738063000000      1.227450000000     -0.016143000000
  C                                                -0.309046000000      0.871194000000     -1.461941000000
  H                                                 2.398518000000      0.639455000000      1.229830000000
  H                                                 0.705457000000      2.697786000000      0.618767000000
  H                                                 0.292720000000      1.530390000000      1.853834000000
  H                                                 3.163814000000     -1.541544000000      0.219131000000
  H                                                 1.937671000000     -2.488500000000     -0.787055000000
  H                                                -0.114313000000     -1.410379000000     -1.555412000000
  C                                                -0.857617000000     -0.904210000000      1.570339000000
  C                                                -2.466835000000     -0.645129000000     -0.296336000000
  H                                                -1.560459000000      1.932149000000      0.122182000000
  H                                                -1.140268000000      0.855938000000     -2.161136000000
  H                                                 0.507286000000      1.443130000000     -1.902380000000
  H                                                 0.139287000000     -0.735039000000      1.971262000000
  H                                                -1.004924000000     -1.985930000000      1.522168000000
  H                                                -1.583414000000     -0.502658000000      2.282629000000
  H                                                -2.691969000000     -0.231611000000     -1.278562000000
  H                                                -3.219726000000     -0.269790000000      0.401530000000
  H                                                -2.582631000000     -1.729976000000     -0.357089000000
  H                                                 2.317034000000      1.377511000000     -0.346860000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1          12          12           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           0           0           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Fri Jul  9 20:32:19 2021, MaxMem= 17179869184 cpu:               1.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.736209    0.801878    0.378732
      2          6           0        0.496901    1.638940    0.787068
      3          6           0        1.383096   -0.522443   -0.274501
      4          6           0        2.201969   -1.569072   -0.279208
      5          6           0        0.025556   -0.542713   -0.909694
      6          6           0       -1.066183   -0.286051    0.196211
      7          6           0       -0.738063    1.227450   -0.016143
      8          6           0       -0.309046    0.871194   -1.461941
      9          1           0        2.398518    0.639455    1.229830
     10          1           0        0.705457    2.697786    0.618767
     11          1           0        0.292720    1.530390    1.853834
     12          1           0        3.163814   -1.541544    0.219131
     13          1           0        1.937671   -2.488500   -0.787055
     14          1           0       -0.114313   -1.410379   -1.555412
     15          6           0       -0.857617   -0.904210    1.570339
     16          6           0       -2.466835   -0.645129   -0.296336
     17          1           0       -1.560459    1.932149    0.122182
     18          1           0       -1.140268    0.855938   -2.161136
     19          1           0        0.507286    1.443130   -1.902380
     20          1           0        0.139287   -0.735039    1.971262
     21          1           0       -1.004924   -1.985930    1.522168
     22          1           0       -1.583414   -0.502658    2.282629
     23          1           0       -2.691969   -0.231611   -1.278562
     24          1           0       -3.219726   -0.269790    0.401530
     25          1           0       -2.582631   -1.729976   -0.357089
     26          1           0        2.317034    1.377511   -0.346860
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.550257   0.000000
     3  C    1.518298   2.565901   0.000000
     4  C    2.504241   3.786231   1.328912   0.000000
     5  C    2.528695   2.803708   1.498932   2.487509   0.000000
     6  C    3.011695   2.549105   2.505278   3.543019   1.575054
     7  C    2.541468   1.529578   2.761918   4.066144   2.124859
     8  C    2.752444   2.509388   2.493107   3.695802   1.554371
     9  H    1.090597   2.193435   2.155018   2.682055   3.406763
    10  H    2.171298   1.092234   3.409838   4.609987   3.646819
    11  H    2.188679   1.091541   3.151643   4.219214   3.464999
    12  H    2.748664   4.189326   2.110260   1.083626   3.481461
    13  H    3.496603   4.646444   2.106097   1.083102   2.730808
    14  H    3.472668   3.893474   2.161341   2.649348   1.090578
    15  C    3.325447   2.985941   2.927452   3.636472   2.657299
    16  C    4.496123   3.895442   3.851947   4.759380   2.568795
    17  H    3.494474   2.181920   3.853167   5.155146   3.115310
    18  H    3.837704   3.461982   3.438996   4.537937   2.209407
    19  H    2.669256   2.696587   2.698242   3.818376   2.271797
    20  H    2.729180   2.676935   2.575987   3.164630   2.889608
    21  H    4.073467   3.991933   3.327530   3.701741   3.009770
    22  H    4.043085   3.339290   3.916566   4.693546   3.575097
    23  H    4.839781   4.234936   4.207003   5.170893   2.760034
    24  H    5.070531   4.195856   4.659058   5.616611   3.510791
    25  H    5.060049   4.705551   4.146317   4.787938   2.918494
    26  H    1.093250   2.160329   2.118325   2.949605   3.042189
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.563151   0.000000
     8  C    2.159153   1.549615   0.000000
     9  H    3.732169   3.425832   3.824949   0.000000
    10  H    3.495790   2.156096   2.948729   2.734334   0.000000
    11  H    2.809589   2.156641   3.433806   2.370133   1.748873
    12  H    4.412444   4.790337   4.550611   2.522686   4.916823
    13  H    3.852367   4.643505   4.097652   3.750241   5.512917
    14  H    2.288745   3.117139   2.291775   4.274776   4.719756
    15  C    1.521134   2.659923   3.556362   3.619567   4.040181
    16  C    1.527536   2.563925   2.883388   5.258422   4.698503
    17  H    2.273807   1.091819   2.280593   4.309459   2.442780
    18  H    2.620441   2.213772   1.086295   4.905968   3.811426
    19  H    3.141649   2.270529   1.089723   3.746117   2.823051
    20  H    2.192157   2.927607   3.816788   2.746467   3.732838
    21  H    2.156734   3.572594   4.189548   4.308309   5.067419
    22  H    2.160460   2.998707   4.187277   4.274177   4.272026
    23  H    2.195700   2.745962   2.632134   5.741415   4.870701
    24  H    2.163370   2.928281   3.639564   5.751302   4.925521
    25  H    2.165797   3.502148   3.627116   5.739718   5.600794
    26  H    3.809005   3.076607   2.897595   1.742790   2.296245
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.511343   0.000000
    13  H    5.082483   1.847312   0.000000
    14  H    4.520703   3.729923   2.441998   0.000000
    15  C    2.707568   4.289973   3.985087   3.252542   0.000000
    16  C    4.119619   5.724812   4.799843   2.775831   2.478141
    17  H    2.567937   5.864699   5.710146   4.009757   3.261300
    18  H    4.316054   5.471628   4.748376   2.560406   4.135447
    19  H    3.763349   4.523962   4.329857   2.940967   4.408258
    20  H    2.273653   3.587224   3.730566   3.599698   1.087739
    21  H    3.762763   4.390189   3.774116   3.255141   1.092766
    22  H    2.799469   5.279534   5.075881   4.208655   1.093335
    23  H    4.671715   6.184594   5.173847   2.847885   3.454486
    24  H    4.205605   6.511544   5.738828   3.843716   2.710749
    25  H    4.877070   5.778336   4.603625   2.762375   2.715242
    26  H    2.994040   3.091644   3.909441   3.891578   4.354344
                   16         17         18         19         20
    16  C    0.000000
    17  H    2.763881   0.000000
    18  H    2.736871   2.558971   0.000000
    19  H    3.973109   2.934887   1.768102   0.000000
    20  H    3.455714   3.663622   4.609250   4.459254   0.000000
    21  H    2.691076   4.197609   4.654166   5.076688   1.753748
    22  H    2.729797   3.255202   4.667891   5.066697   1.765970
    23  H    1.089243   2.815006   2.090329   3.664579   4.339448
    24  H    1.093042   2.771234   3.486928   4.704542   3.736774
    25  H    1.092700   3.832192   3.467268   4.690854   3.717520
    26  H    5.194134   3.944943   3.939108   2.387286   3.818264
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.764383   0.000000
    23  H    3.710505   3.739578   0.000000
    24  H    3.017667   2.504052   1.761447   0.000000
    25  H    2.467038   3.077800   1.762432   1.764521   0.000000
    26  H    5.083444   5.065841   5.342982   5.824895   5.802008
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 6.48D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.736209    0.801878    0.378732
      2          6           0        0.496901    1.638940    0.787068
      3          6           0        1.383096   -0.522443   -0.274501
      4          6           0        2.201969   -1.569072   -0.279208
      5          6           0        0.025556   -0.542713   -0.909694
      6          6           0       -1.066183   -0.286051    0.196211
      7          6           0       -0.738063    1.227450   -0.016143
      8          6           0       -0.309046    0.871194   -1.461941
      9          1           0        2.398518    0.639455    1.229830
     10          1           0        0.705457    2.697786    0.618767
     11          1           0        0.292720    1.530390    1.853834
     12          1           0        3.163814   -1.541544    0.219131
     13          1           0        1.937671   -2.488500   -0.787055
     14          1           0       -0.114313   -1.410379   -1.555412
     15          6           0       -0.857617   -0.904210    1.570339
     16          6           0       -2.466835   -0.645129   -0.296336
     17          1           0       -1.560459    1.932149    0.122182
     18          1           0       -1.140268    0.855938   -2.161136
     19          1           0        0.507286    1.443130   -1.902380
     20          1           0        0.139287   -0.735039    1.971262
     21          1           0       -1.004924   -1.985930    1.522168
     22          1           0       -1.583414   -0.502658    2.282629
     23          1           0       -2.691969   -0.231611   -1.278562
     24          1           0       -3.219726   -0.269790    0.401530
     25          1           0       -2.582631   -1.729976   -0.357089
     26          1           0        2.317034    1.377511   -0.346860
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9111302           1.2981916           1.1547870
 Leave Link  202 at Fri Jul  9 20:32:19 2021, MaxMem= 17179869184 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     17     18     19     20
 Centers:      21     22     23     24     25     26
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     15     16
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 408 were deleted.
 There are   394 symmetry adapted cartesian basis functions of A   symmetry.
 There are   374 symmetry adapted basis functions of A   symmetry.
   374 basis functions,   662 primitive gaussians,   394 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       571.0056832907 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0493411780 Hartrees.
 Nuclear repulsion after empirical dispersion term =      570.9563421127 Hartrees.
 Leave Link  301 at Fri Jul  9 20:32:20 2021, MaxMem= 17179869184 cpu:              16.7 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   374 RedAO= T EigKep=  2.52D-06  NBF=   374
 NBsUse=   374 1.00D-06 EigRej= -1.00D+00 NBFU=   374
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   394   394   394   394   394 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Fri Jul  9 20:32:21 2021, MaxMem= 17179869184 cpu:               5.2 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul  9 20:32:21 2021, MaxMem= 17179869184 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "06_betapinene_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul  9 20:32:22 2021, MaxMem= 17179869184 cpu:               4.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 17179869184 LenX= 17179550098 LenY= 17179394421
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -390.738570012702    
 DIIS: error= 1.43D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -390.738570012702     IErMin= 1 ErrMin= 1.43D-03
 ErrMax= 1.43D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.39D-03 BMatP= 4.39D-03
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.43D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.249 Goal=   None    Shift=    0.000
 GapD=    0.249 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=4.73D-02 MaxDP=5.21D+00              OVMax= 1.08D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.73D-02    CP:  1.85D+00
 E= -390.742102830240     Delta-E=       -0.003532817538 Rises=F Damp=F
 DIIS: error= 1.58D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -390.742102830240     IErMin= 2 ErrMin= 1.58D-04
 ErrMax= 1.58D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.00D-05 BMatP= 4.39D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.58D-03
 Coeff-Com:  0.421D-02 0.996D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.420D-02 0.996D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=1.40D-03 MaxDP=1.80D-01 DE=-3.53D-03 OVMax= 2.45D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.56D-04    CP:  1.87D+00  1.03D+00
 E= -390.742098317977     Delta-E=        0.000004512263 Rises=F Damp=F
 DIIS: error= 1.68D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -390.742102830240     IErMin= 2 ErrMin= 1.58D-04
 ErrMax= 1.68D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.48D-05 BMatP= 3.00D-05
 IDIUse=3 WtCom= 4.35D-01 WtEn= 5.65D-01
 Coeff-Com: -0.651D-02 0.521D+00 0.485D+00
 Coeff-En:   0.000D+00 0.534D+00 0.466D+00
 Coeff:     -0.283D-02 0.529D+00 0.474D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=1.53D-04 MaxDP=8.64D-03 DE= 4.51D-06 OVMax= 1.01D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.16D-05    CP:  1.87D+00  1.03D+00  9.04D-01
 E= -390.742134260733     Delta-E=       -0.000035942757 Rises=F Damp=F
 DIIS: error= 3.86D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -390.742134260733     IErMin= 4 ErrMin= 3.86D-05
 ErrMax= 3.86D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-06 BMatP= 3.00D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.290D-02 0.152D+00 0.207D+00 0.644D+00
 Coeff:     -0.290D-02 0.152D+00 0.207D+00 0.644D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=3.19D-05 MaxDP=2.72D-03 DE=-3.59D-05 OVMax= 7.44D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.19D-05    CP:  1.87D+00  1.03D+00  9.26D-01  9.33D-01
 E= -390.742134898425     Delta-E=       -0.000000637692 Rises=F Damp=F
 DIIS: error= 2.13D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -390.742134898425     IErMin= 5 ErrMin= 2.13D-05
 ErrMax= 2.13D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.66D-07 BMatP= 1.14D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.101D-02 0.193D-01 0.671D-01 0.444D+00 0.470D+00
 Coeff:     -0.101D-02 0.193D-01 0.671D-01 0.444D+00 0.470D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=1.33D-05 MaxDP=1.37D-03 DE=-6.38D-07 OVMax= 3.79D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.63D-06    CP:  1.87D+00  1.03D+00  9.27D-01  9.42D-01  7.04D-01
 E= -390.742135458413     Delta-E=       -0.000000559988 Rises=F Damp=F
 DIIS: error= 2.43D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -390.742135458413     IErMin= 6 ErrMin= 2.43D-06
 ErrMax= 2.43D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.72D-09 BMatP= 5.66D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.357D-03 0.297D-02 0.232D-01 0.180D+00 0.201D+00 0.593D+00
 Coeff:     -0.357D-03 0.297D-02 0.232D-01 0.180D+00 0.201D+00 0.593D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=2.15D-06 MaxDP=1.64D-04 DE=-5.60D-07 OVMax= 4.37D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.57D-06    CP:  1.87D+00  1.03D+00  9.27D-01  9.46D-01  6.85D-01
                    CP:  9.94D-01
 E= -390.742135464801     Delta-E=       -0.000000006388 Rises=F Damp=F
 DIIS: error= 1.21D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -390.742135464801     IErMin= 7 ErrMin= 1.21D-06
 ErrMax= 1.21D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.44D-09 BMatP= 7.72D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.507D-04-0.836D-03 0.327D-02 0.349D-01 0.350D-01 0.314D+00
 Coeff-Com:  0.614D+00
 Coeff:     -0.507D-04-0.836D-03 0.327D-02 0.349D-01 0.350D-01 0.314D+00
 Coeff:      0.614D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=7.45D-07 MaxDP=2.88D-05 DE=-6.39D-09 OVMax= 1.14D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.51D-07    CP:  1.87D+00  1.03D+00  9.28D-01  9.45D-01  6.89D-01
                    CP:  9.87D-01  7.64D-01
 E= -390.742135466169     Delta-E=       -0.000000001367 Rises=F Damp=F
 DIIS: error= 1.91D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -390.742135466169     IErMin= 8 ErrMin= 1.91D-07
 ErrMax= 1.91D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.10D-11 BMatP= 1.44D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.259D-06-0.389D-03-0.132D-03 0.258D-02-0.410D-03 0.821D-01
 Coeff-Com:  0.225D+00 0.692D+00
 Coeff:      0.259D-06-0.389D-03-0.132D-03 0.258D-02-0.410D-03 0.821D-01
 Coeff:      0.225D+00 0.692D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=1.71D-07 MaxDP=1.49D-05 DE=-1.37D-09 OVMax= 1.78D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.32D-07    CP:  1.87D+00  1.03D+00  9.27D-01  9.45D-01  6.87D-01
                    CP:  9.90D-01  7.70D-01  8.75D-01
 E= -390.742135466190     Delta-E=       -0.000000000021 Rises=F Damp=F
 DIIS: error= 7.95D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -390.742135466190     IErMin= 9 ErrMin= 7.95D-08
 ErrMax= 7.95D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.87D-12 BMatP= 4.10D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.327D-05-0.156D-03-0.289D-03-0.868D-03-0.252D-02 0.230D-01
 Coeff-Com:  0.759D-01 0.354D+00 0.551D+00
 Coeff:      0.327D-05-0.156D-03-0.289D-03-0.868D-03-0.252D-02 0.230D-01
 Coeff:      0.759D-01 0.354D+00 0.551D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=3.85D-08 MaxDP=1.60D-06 DE=-2.14D-11 OVMax= 4.80D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.00D-08    CP:  1.87D+00  1.03D+00  9.27D-01  9.45D-01  6.87D-01
                    CP:  9.92D-01  7.72D-01  8.96D-01  9.16D-01
 E= -390.742135466245     Delta-E=       -0.000000000055 Rises=F Damp=F
 DIIS: error= 1.10D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -390.742135466245     IErMin=10 ErrMin= 1.10D-08
 ErrMax= 1.10D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.08D-13 BMatP= 5.87D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.117D-05-0.336D-04-0.103D-03-0.497D-03-0.988D-03 0.371D-02
 Coeff-Com:  0.138D-01 0.897D-01 0.216D+00 0.679D+00
 Coeff:      0.117D-05-0.336D-04-0.103D-03-0.497D-03-0.988D-03 0.371D-02
 Coeff:      0.138D-01 0.897D-01 0.216D+00 0.679D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=9.72D-09 MaxDP=9.83D-07 DE=-5.48D-11 OVMax= 1.27D-07

 SCF Done:  E(RB3LYP) =  -390.742135466     A.U. after   10 cycles
            NFock= 10  Conv=0.97D-08     -V/T= 2.0062
 KE= 3.883456759046D+02 PE=-2.046034230229D+03 EE= 6.959900767455D+02
 Leave Link  502 at Fri Jul  9 20:34:06 2021, MaxMem= 17179869184 cpu:            1242.1 elap:             103.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   374
 NBasis=   374 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    374 NOA=    38 NOB=    38 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.82569116D+02

 Leave Link  801 at Fri Jul  9 20:34:06 2021, MaxMem= 17179869184 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8043 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   17179869184 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.13D-13 8.33D-09 XBig12= 1.00D+00 2.93D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.13D-13 8.33D-09 XBig12= 1.96D-01 5.38D-02.
     11 vectors produced by pass  2 Test12= 2.13D-13 8.33D-09 XBig12= 4.39D-02 4.57D-02.
     11 vectors produced by pass  3 Test12= 2.13D-13 8.33D-09 XBig12= 5.33D-03 1.38D-02.
     11 vectors produced by pass  4 Test12= 2.13D-13 8.33D-09 XBig12= 4.64D-04 4.02D-03.
     11 vectors produced by pass  5 Test12= 2.13D-13 8.33D-09 XBig12= 1.50D-05 4.72D-04.
     11 vectors produced by pass  6 Test12= 2.13D-13 8.33D-09 XBig12= 2.80D-07 6.94D-05.
     11 vectors produced by pass  7 Test12= 2.13D-13 8.33D-09 XBig12= 3.69D-09 9.28D-06.
     11 vectors produced by pass  8 Test12= 2.13D-13 8.33D-09 XBig12= 5.86D-11 1.00D-06.
      8 vectors produced by pass  9 Test12= 2.13D-13 8.33D-09 XBig12= 4.45D-13 8.98D-08.
      2 vectors produced by pass 10 Test12= 2.13D-13 8.33D-09 XBig12= 1.25D-14 1.35D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   109 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.132757D+03
      2 -0.829223D+01  0.123722D+03
      3  0.182114D+00  0.109994D+01  0.107602D+03
 Isotropic polarizability for W=    0.093368      121.36 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1   0.135450D+02 -0.323687D+02  0.382215D+01
      2   0.198497D+02 -0.861013D+01 -0.746221D+01
      3  -0.333947D+02  0.409789D+02  0.364006D+01
      4  -0.789831D+02  0.617819D+02  0.139512D+02
      5   0.497876D+01  0.203527D+02 -0.211967D+02
      6   0.104111D+02 -0.444447D+01 -0.145928D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.411295D+01 -0.424508D+01  0.332013D+01
      2   0.833663D+01  0.227277D+01 -0.754833D+01
      3   0.107415D+02 -0.101614D+02 -0.677484D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1   0.640155D+01  0.301774D+01  0.424381D+02
      2  -0.115661D+01  0.354006D+01  0.121981D+02
      3  -0.466144D+02 -0.419322D+02 -0.994162D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.650647D+00 -0.790246D+00 -0.403743D+01
      2  -0.790246D+00 -0.445929D+00  0.710676D+00
      3  -0.403743D+01  0.710676D+00  0.707461D+00
 OR G Eigenvalues:    -4.0717    -0.6711     4.3537  Iso=     0.1297
 Eigenvectors:
   (1)   0.766265   0.041331   0.641194
   (2)   0.106742   0.975873  -0.190468
   (3)  -0.633596   0.214391   0.743366
 w=    0.093368 a.u., Optical Rotation Beta=      0.1297 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 4880.0 A) =       53.66 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   70125 ScalPx= 1.64D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.89D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.55D-14 2.78D-09 XBig12= 1.00D+00 3.40D-01.
     30 vectors produced by pass  1 Test12= 3.55D-14 2.78D-09 XBig12= 2.05D-02 4.67D-02.
     30 vectors produced by pass  2 Test12= 3.55D-14 2.78D-09 XBig12= 7.88D-04 2.76D-03.
     30 vectors produced by pass  3 Test12= 3.55D-14 2.78D-09 XBig12= 1.12D-05 3.34D-04.
     30 vectors produced by pass  4 Test12= 3.55D-14 2.78D-09 XBig12= 1.17D-07 3.21D-05.
     30 vectors produced by pass  5 Test12= 3.55D-14 2.78D-09 XBig12= 9.10D-10 2.49D-06.
     30 vectors produced by pass  6 Test12= 3.55D-14 2.78D-09 XBig12= 3.00D-12 1.24D-07.
      7 vectors produced by pass  7 Test12= 3.55D-14 2.78D-09 XBig12= 1.17D-14 1.57D-08.
      3 vectors produced by pass  8 Test12= 3.55D-14 2.78D-09 XBig12= 2.47D-15 6.16D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.33D-15
 Solved reduced A of dimension   220 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 4.88D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 4.88D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.53D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.132757D+03 -0.829223D+01  0.182114D+00
      2  -0.829223D+01  0.123722D+03  0.109994D+01
      3   0.182114D+00  0.109994D+01  0.107602D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.411295D+01 -0.424508D+01  0.332013D+01
      2   0.833663D+01  0.227277D+01 -0.754833D+01
      3   0.107415D+02 -0.101614D+02 -0.677484D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.135450D+02 -0.323687D+02  0.382215D+01
      2   0.198497D+02 -0.861013D+01 -0.746221D+01
      3  -0.333947D+02  0.409789D+02  0.364006D+01
      4  -0.789831D+02  0.617819D+02  0.139512D+02
      5   0.497876D+01  0.203527D+02 -0.211967D+02
      6   0.104111D+02 -0.444447D+01 -0.145928D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.189473D+01 -0.215874D+01 -0.175931D+01 -0.955885D+00  0.139208D+01
      2  -0.215874D+01 -0.142412D+01  0.104535D+01  0.139208D+01 -0.401935D+01
      3  -0.175931D+01  0.104535D+01 -0.268148D+01  0.195132D+01  0.129209D+01
                 6             7             8             9            10 
      1   0.195132D+01 -0.364631D+01  0.198024D+01 -0.369292D+01 -0.898157D-01
      2   0.129209D+01  0.198024D+01  0.283963D+01 -0.975451D+00  0.239360D+01
      3   0.400373D-01 -0.369292D+01 -0.975451D+00 -0.597244D+00  0.166675D+01
                11            12            13            14            15 
      1   0.239360D+01  0.166675D+01  0.210838D+01 -0.348626D+01 -0.133598D+00
      2  -0.354994D+01 -0.240421D-01 -0.348626D+01 -0.707196D+01  0.503811D+00
      3  -0.240421D-01  0.200366D+01 -0.133598D+00  0.503811D+00  0.103627D+01
                16            17            18            19            20 
      1   0.252941D+01  0.180179D+00  0.191237D+01 -0.141191D+02  0.103470D+02
      2   0.180179D+00  0.161973D+01 -0.263908D+00  0.103470D+02 -0.892697D+01
      3   0.191237D+01 -0.263908D+00 -0.596336D+01  0.365738D+01 -0.293908D+00
                21            22            23            24            25 
      1   0.365738D+01  0.105830D+02 -0.888418D+01 -0.213429D+01  0.283490D+00
      2  -0.293908D+00 -0.888418D+01  0.114555D+02 -0.242072D+01  0.481309D+00
      3  -0.210989D+01 -0.213429D+01 -0.242072D+01  0.310249D+01 -0.761299D+00
                26            27            28            29            30 
      1   0.481309D+00 -0.761299D+00  0.788450D+01 -0.724069D+01 -0.621504D+01
      2  -0.169347D+01  0.795357D+00 -0.724069D+01  0.839322D+01  0.242499D+01
      3   0.795357D+00  0.719093D-01 -0.621504D+01  0.242499D+01  0.311589D+01
                31            32            33            34            35 
      1  -0.109842D+02  0.929090D+01  0.106967D+01 -0.699903D+01  0.143999D+01
      2   0.929090D+01 -0.963164D+01  0.423190D+01  0.143999D+01  0.518566D+01
      3   0.106967D+01  0.423190D+01 -0.311505D+01  0.366474D+01 -0.323834D+01
                36            37            38            39            40 
      1   0.366474D+01  0.130501D+02 -0.634363D+01 -0.420328D+01 -0.264369D+01
      2  -0.323834D+01 -0.634363D+01  0.413175D+01 -0.880677D+00  0.294141D+01
      3  -0.106100D+01 -0.420328D+01 -0.880677D+00  0.293039D+01 -0.899315D+00
                41            42            43            44            45 
      1   0.294141D+01 -0.899315D+00 -0.824879D+01  0.651542D+00  0.320522D+01
      2   0.116494D+01  0.601790D+01  0.651542D+00  0.495372D+01  0.143424D+01
      3   0.601790D+01  0.608948D+00  0.320522D+01  0.143424D+01 -0.150719D+01
                46            47            48            49            50 
      1  -0.522387D+01  0.366113D+01  0.662011D+01  0.481391D+01 -0.544344D+01
      2   0.366113D+01 -0.326200D+01  0.171385D+00 -0.544344D+01 -0.802712D+01
      3   0.662011D+01  0.171385D+00 -0.260791D+01 -0.173405D+00 -0.738411D+00
                51            52            53            54            55 
      1  -0.173405D+00  0.129542D+02 -0.240229D+01 -0.287158D+01  0.219522D+01
      2  -0.738411D+00 -0.240229D+01  0.154616D+01  0.269982D+01 -0.363519D+01
      3   0.197550D+01 -0.287158D+01  0.269982D+01 -0.106797D+01 -0.259450D+01
                56            57            58            59            60 
      1  -0.363519D+01 -0.259450D+01 -0.337814D+01  0.667803D+01  0.193238D-01
      2   0.603824D+01 -0.941633D-01  0.667803D+01  0.431048D+01 -0.252530D+01
      3  -0.941633D-01 -0.140206D+01  0.193238D-01 -0.252530D+01  0.223497D+01
                61            62            63            64            65 
      1  -0.265788D+01 -0.794682D+00 -0.153557D+01  0.803437D-01 -0.988312D+00
      2  -0.794682D+00 -0.337216D+01  0.203473D+00 -0.988312D+00 -0.401826D+01
      3  -0.153557D+01  0.203473D+00  0.510688D+01  0.433422D+01  0.283235D+01
                66            67            68            69            70 
      1   0.433422D+01  0.107819D+01 -0.445425D+01  0.334333D+01  0.368310D+01
      2   0.283235D+01 -0.445425D+01  0.412888D+01 -0.117172D+01  0.185039D+01
      3   0.173207D+01  0.334333D+01 -0.117172D+01 -0.289062D+01  0.139634D+01
                71            72            73            74            75 
      1   0.185039D+01  0.139634D+01  0.453966D+01  0.621186D+00  0.262940D+01
      2  -0.425083D+00 -0.244306D+01  0.621186D+00  0.129060D+01  0.502410D+00
      3  -0.244306D+01 -0.124884D+01  0.262940D+01  0.502410D+00  0.242551D+01
                76            77            78            79            80 
      1  -0.775428D+00  0.711533D+00 -0.571215D+00  0.398124D+01  0.246598D+00
      2   0.711533D+00 -0.310094D-01  0.547580D+00  0.246598D+00  0.568859D+00
      3  -0.571215D+00  0.547580D+00 -0.321671D+00  0.335512D+01  0.861148D+00
                81            82            83            84            85 
      1   0.335512D+01  0.897334D+00  0.147325D+01 -0.751310D-01  0.151370D+01
      2   0.861148D+00  0.147325D+01  0.190178D+01  0.220919D+00  0.223354D+01
      3   0.430218D+01 -0.751310D-01  0.220919D+00 -0.118848D+00  0.271720D+00
                86            87            88            89            90 
      1   0.223354D+01  0.271720D+00 -0.678612D+00 -0.244634D+00 -0.105183D-01
      2   0.122415D+02  0.901271D+00 -0.244634D+00 -0.146288D+01  0.119923D+01
      3   0.901271D+00  0.964875D+00 -0.105183D-01  0.119923D+01  0.500830D+00
                91            92            93            94            95 
      1  -0.772310D+00 -0.124236D+00  0.952680D+00 -0.395607D+00 -0.105773D-02
      2  -0.124236D+00  0.815123D-01 -0.295873D+00 -0.105773D-02  0.691314D+00
      3   0.952680D+00 -0.295873D+00 -0.128292D+01  0.106773D-01  0.951840D+00
                96            97            98            99           100 
      1   0.106773D-01  0.126970D+01 -0.278972D-01 -0.916944D+00  0.957553D+01
      2   0.951840D+00 -0.278972D-01  0.158748D+01  0.191730D+01 -0.260677D+01
      3  -0.153457D+00 -0.916944D+00  0.191730D+01  0.876590D+01  0.308533D+01
               101           102           103           104           105 
      1  -0.260677D+01  0.308533D+01 -0.738690D+00  0.154868D+01  0.499151D+00
      2   0.181942D+01 -0.872942D+00  0.154868D+01 -0.167164D+01 -0.268971D+00
      3  -0.872942D+00  0.146124D+01  0.499151D+00 -0.268971D+00  0.433144D-01
               106           107           108           109           110 
      1   0.546114D+01 -0.870088D+00  0.144320D+01  0.117502D+01 -0.119187D+01
      2  -0.870088D+00 -0.583727D-01  0.153996D-02 -0.119187D+01 -0.843973D+00
      3   0.144320D+01  0.153996D-02  0.102057D+01  0.182648D+00 -0.113210D+01
               111           112           113           114           115 
      1   0.182648D+00 -0.150443D+01  0.153391D+01  0.429440D+00  0.735340D-01
      2  -0.113210D+01  0.153391D+01 -0.846245D+01 -0.316441D+01 -0.132037D+00
      3  -0.590556D+00  0.429440D+00 -0.316441D+01 -0.182738D+01 -0.258344D+00
               116           117           118           119           120 
      1  -0.132037D+00 -0.258344D+00 -0.602652D+00 -0.924091D+00 -0.486406D+00
      2  -0.427003D+01 -0.161445D+01 -0.924091D+00 -0.961915D+00 -0.445830D+00
      3  -0.161445D+01 -0.123871D+01 -0.486406D+00 -0.445830D+00 -0.756918D+00
               121           122           123           124           125 
      1  -0.165449D+01 -0.563082D+00 -0.549875D+00  0.137915D+00 -0.522226D+00
      2  -0.563082D+00 -0.554392D+01 -0.347360D+01 -0.522226D+00 -0.267837D+01
      3  -0.549875D+00 -0.347360D+01 -0.296483D+01 -0.594991D+00 -0.281890D+01
               126           127           128           129           130 
      1  -0.594991D+00 -0.252140D+01 -0.157966D+01 -0.502831D+01 -0.205333D+01
      2  -0.281890D+01 -0.157966D+01  0.133569D+01  0.135545D+00  0.221161D+01
      3  -0.363781D+01 -0.502831D+01  0.135545D+00  0.233769D+01  0.623915D+00
               131           132           133           134           135 
      1   0.221161D+01  0.623915D+00 -0.474614D+01  0.508446D+00  0.232423D+01
      2   0.709097D+01 -0.940201D+00  0.508446D+00  0.226765D+00 -0.275389D+01
      3  -0.940201D+00 -0.309835D+01  0.232423D+01 -0.275389D+01 -0.207277D-01
               136           137           138           139           140 
      1   0.325821D+00 -0.254543D+01 -0.463693D+01 -0.398316D+01  0.375557D+01
      2  -0.254543D+01  0.131132D+01  0.650186D-01  0.375557D+01  0.710454D+01
      3  -0.463693D+01  0.650186D-01  0.202270D+01  0.261745D+00  0.107858D+01
               141           142           143           144           145 
      1   0.261745D+00 -0.678696D+01  0.109927D+01  0.341841D+01 -0.635159D+01
      2   0.107858D+01  0.109927D+01  0.269675D+00 -0.258482D+01  0.450069D+01
      3  -0.298514D+01  0.341841D+01 -0.258482D+01  0.288211D+01  0.101290D+01
               146           147           148           149           150 
      1   0.450069D+01  0.101290D+01  0.334024D+01 -0.392688D+01 -0.216394D+00
      2  -0.476639D+01 -0.593183D+00 -0.392688D+01  0.531982D+01  0.931534D+00
      3  -0.593183D+00 -0.813929D+00 -0.216394D+00  0.931534D+00  0.652553D+00
               151           152           153           154           155 
      1   0.110170D+01 -0.383373D+00 -0.934849D+00 -0.463167D+01  0.895382D+00
      2  -0.383373D+00  0.112512D+01  0.125195D+01  0.895382D+00 -0.100684D+01
      3  -0.934849D+00  0.125195D+01  0.376837D+00 -0.338638D+01  0.710100D+00
               156           157           158           159           160 
      1  -0.338638D+01 -0.320430D+00 -0.431910D+00  0.875286D-01 -0.291195D+01
      2   0.710100D+00 -0.431910D+00  0.118436D+00 -0.736088D+00  0.632180D+00
      3  -0.405231D+01  0.875286D-01 -0.736088D+00  0.420321D+00 -0.336025D+01
               161           162           163           164           165 
      1   0.632180D+00 -0.336025D+01  0.302067D+01  0.204589D+01 -0.258989D+01
      2  -0.997268D+00  0.123990D+01  0.204589D+01  0.281925D+01 -0.224655D+01
      3   0.123990D+01 -0.556757D+01 -0.258989D+01 -0.224655D+01  0.311234D+01
               166           167           168           169           170 
      1   0.108745D+01  0.199050D+01 -0.129772D+01 -0.118600D+01 -0.111448D+01
      2   0.199050D+01  0.296562D+01 -0.221149D+01 -0.111448D+01 -0.148405D+01
      3  -0.129772D+01 -0.221149D+01  0.250245D+01  0.132715D+01  0.221965D+01
               171           172           173           174           175 
      1   0.132715D+01  0.529093D+01  0.644939D+00  0.177446D+01  0.844260D+00
      2   0.221965D+01  0.644939D+00  0.904632D+00 -0.228270D+00  0.462964D+00
      3  -0.347335D+01  0.177446D+01 -0.228270D+00  0.272510D+01 -0.704780D-01
               176           177           178           179           180 
      1   0.462964D+00 -0.704780D-01  0.159288D+01  0.529159D-01  0.148298D+01
      2  -0.331816D+00  0.425567D+00  0.529159D-01  0.368144D+00  0.178032D+00
      3   0.425567D+00  0.583384D+00  0.148298D+01  0.178032D+00  0.212110D+01
               181           182           183           184           185 
      1  -0.449627D+00 -0.991384D+00  0.770003D+00 -0.135425D+01 -0.184758D+01
      2  -0.991384D+00 -0.100516D+01  0.179855D+00 -0.184758D+01 -0.883234D+01
      3   0.770003D+00  0.179855D+00 -0.611791D+00  0.452066D+00  0.230395D+01
               186           187           188           189           190 
      1   0.452066D+00  0.214536D+00 -0.142345D+00 -0.373130D+00 -0.382332D+01
      2   0.230395D+01 -0.142345D+00 -0.579021D-01 -0.720508D+00  0.506200D+00
      3  -0.182335D+01 -0.373130D+00 -0.720508D+00  0.408644D+00  0.362080D+01
               191           192           193           194           195 
      1   0.506200D+00  0.362080D+01  0.156325D+01 -0.961471D+00 -0.126667D+01
      2  -0.106542D+01 -0.205520D+00 -0.961471D+00  0.222318D+00  0.103300D+01
      3  -0.205520D+00 -0.425570D+01 -0.126667D+01  0.103300D+01  0.238971D+01
               196           197           198           199           200 
      1   0.254766D+01 -0.247156D+00 -0.321850D+01 -0.141126D+01  0.761701D+00
      2  -0.247156D+00  0.616830D+00  0.777359D+00  0.761701D+00 -0.348433D+00
      3  -0.321850D+01  0.777359D+00  0.572036D+01 -0.119046D+01  0.312650D+00
               201           202           203           204           205 
      1  -0.119046D+01  0.175637D+01 -0.713815D+00  0.589895D+00 -0.256955D+01
      2   0.312650D+00 -0.713815D+00  0.333352D+00 -0.117076D+01  0.406571D-01
      3  -0.163425D+01  0.589895D+00 -0.117076D+01  0.175166D+01 -0.275667D+01
               206           207           208           209           210 
      1   0.406571D-01 -0.275667D+01 -0.762678D+01  0.103636D+01  0.275519D+01
      2  -0.130115D+01  0.137384D+01  0.103636D+01 -0.863879D+00 -0.518065D+00
      3   0.137384D+01 -0.577942D+01  0.275519D+01 -0.518065D+00 -0.180068D+01
               211           212           213           214           215 
      1   0.339158D+01 -0.181947D+01 -0.887503D+00  0.610137D+01 -0.687398D+00
      2  -0.181947D+01  0.291258D+00  0.583876D+00 -0.687398D+00  0.927393D+00
      3  -0.887503D+00  0.583876D+00  0.107647D+01 -0.291518D+01  0.739864D+00
               216           217           218           219           220 
      1  -0.291518D+01 -0.133651D+01 -0.101623D+01  0.202448D+00 -0.326472D+01
      2   0.739864D+00 -0.101623D+01 -0.856098D+00 -0.554143D-01 -0.386414D+01
      3   0.226865D+01  0.202448D+00 -0.554143D-01 -0.192340D+00 -0.550894D+00
               221           222           223           224           225 
      1  -0.386414D+01 -0.550894D+00  0.407050D+00 -0.253596D+00 -0.937910D+00
      2  -0.845806D+01 -0.807864D+00 -0.253596D+00 -0.440955D+00 -0.782052D+00
      3  -0.807864D+00 -0.955954D+00 -0.937910D+00 -0.782052D+00 -0.489121D+00
               226           227           228           229           230 
      1   0.281952D+01  0.245894D+01 -0.109867D+01  0.192609D+01  0.164680D+01
      2   0.245894D+01  0.287199D+01 -0.714042D+00  0.164680D+01  0.464243D+01
      3  -0.109867D+01 -0.714042D+00  0.104499D+01 -0.858425D+00 -0.117336D+01
               231           232           233           234 
      1  -0.858425D+00 -0.190768D+01 -0.134151D+01  0.160888D+01
      2  -0.117336D+01 -0.134151D+01 -0.359348D+01  0.130269D+01
      3   0.752845D+00  0.160888D+01  0.130269D+01 -0.189364D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.206691D+01 -0.197977D+01  0.308915D+01  0.694838D+00 -0.396126D+01
      2  -0.695101D+01  0.745374D+01 -0.485398D+01  0.662243D+01  0.533548D+01
      3   0.912523D+01 -0.899547D+01 -0.734716D+01 -0.307972D+01  0.597420D+01
                 6             7             8             9            10 
      1  -0.982241D+00  0.384387D+01  0.100733D+02  0.304448D+01 -0.200439D+01
      2  -0.314893D+00 -0.102658D+02 -0.627836D+01 -0.949414D-01  0.211915D+01
      3  -0.180201D+01 -0.105312D+02 -0.297791D+01 -0.303647D+01 -0.988314D+00
                11            12            13            14            15 
      1  -0.330106D+01 -0.455072D+01 -0.317043D+01 -0.115029D+02 -0.426407D+01
      2  -0.237062D+01  0.551819D-01 -0.334319D+01  0.244751D+01  0.821318D+00
      3   0.857986D+01  0.496449D+01  0.122131D+02 -0.557295D+01 -0.263891D+00
                16            17            18            19            20 
      1  -0.530100D+01  0.573230D+01  0.158815D+02 -0.211654D+01  0.272740D+01
      2  -0.496391D+01  0.577393D+00 -0.567971D+01  0.200891D+01  0.737730D+01
      3   0.690669D+01  0.420034D+00  0.323730D+01  0.435939D+01 -0.152497D+01
                21            22            23            24            25 
      1  -0.716814D+01 -0.163852D+01 -0.951228D+01  0.793373D+01 -0.890898D+01
      2  -0.608231D+01  0.273774D+01 -0.814436D+01  0.889005D+01 -0.145049D+02
      3  -0.529026D+01  0.115189D+02 -0.179721D+02  0.867486D+01  0.100541D+01
                26            27            28            29            30 
      1   0.143691D+02  0.217078D+01 -0.927877D+01 -0.733367D+00  0.631036D+01
      2   0.744490D+01 -0.201007D+01 -0.848792D+01  0.378772D+01  0.805844D+01
      3   0.303132D+01  0.760813D-01  0.846839D+01 -0.146941D+02  0.468702D+01
                31            32            33            34            35 
      1  -0.332270D+01  0.118190D+02 -0.952068D+01  0.182308D+01 -0.260825D+00
      2  -0.248236D+01  0.162913D+02 -0.926946D+01 -0.149543D+01 -0.427217D+01
      3  -0.331541D+00  0.523882D+01 -0.130541D+02  0.942683D+01 -0.175099D+02
                36            37            38            39            40 
      1   0.293793D+01 -0.952283D+00 -0.223163D+01  0.327603D+01 -0.473627D+01
      2  -0.247788D+01  0.124636D+02 -0.839120D+01 -0.267957D+01 -0.367687D+01
      3   0.204661D+01 -0.235688D+01  0.291325D+00  0.171211D+01  0.899997D+01
                41            42            43            44            45 
      1   0.827237D+01 -0.969601D+01  0.683098D+01 -0.489720D+01 -0.282164D+01
      2   0.357663D+01 -0.216454D+01 -0.176006D+02  0.505467D+01  0.402363D+01
      3  -0.464909D+01 -0.190163D+01  0.272124D+01  0.746689D+00 -0.233622D+01
                46            47            48            49            50 
      1   0.422173D+01 -0.439594D+00 -0.174320D+01 -0.188779D+01 -0.437192D+01
      2  -0.154036D+02  0.178000D+01  0.959598D+01  0.381349D+01 -0.107644D+01
      3   0.483239D+01 -0.112353D+02 -0.235781D+01 -0.173578D+01 -0.151442D+02
                51            52            53            54            55 
      1  -0.107890D+01 -0.409669D+01  0.815304D+01  0.104092D+01  0.393146D+01
      2  -0.372421D+01  0.526636D+01 -0.862254D+01  0.432658D+01  0.278981D+01
      3  -0.173661D+01 -0.593657D+01  0.127427D+01  0.836489D+01 -0.350400D+01
                56            57            58            59            60 
      1   0.175679D+01  0.548588D+01  0.239342D+01  0.462914D+01 -0.497780D+01
      2   0.232300D+01  0.390029D+01  0.147818D+01  0.245811D+01 -0.167959D+01
      3  -0.428435D+01 -0.421550D+01  0.364709D+01  0.143416D+02 -0.234298D+01
                61            62            63            64            65 
      1   0.328992D+01  0.218731D+01 -0.121456D+02 -0.200050D+01  0.381185D+01
      2  -0.105456D+01 -0.232443D+01 -0.576238D+01 -0.194160D+01 -0.564978D+01
      3  -0.570806D+01 -0.453661D+01 -0.361832D+01  0.112537D+01 -0.738320D+01
                66            67            68            69            70 
      1  -0.107938D+02  0.712164D+01 -0.913164D+01  0.468360D+01 -0.761056D+01
      2   0.120563D+02 -0.281677D+01 -0.742662D+01  0.952602D+01  0.412064D+01
      3   0.819263D+01 -0.197297D+01 -0.826516D+00  0.340068D+01  0.529127D+01
                71            72            73            74            75 
      1   0.764368D+01  0.909166D+01 -0.305635D+01  0.532305D+00 -0.299949D+01
      2   0.724305D+01  0.712175D+01  0.263128D+01  0.163849D+01  0.629944D+01
      3   0.143937D+01  0.179469D+01  0.388622D+01 -0.396795D+01  0.222140D+01
                76            77            78            79            80 
      1   0.224097D+00  0.103931D+00 -0.175092D+00 -0.324739D+01  0.110256D+01
      2  -0.604841D+00  0.495800D+00 -0.927489D+00  0.317978D+01  0.223920D+01
      3  -0.243043D+00  0.221926D+01 -0.107258D+01  0.478701D+01 -0.238162D+01
                81            82            83            84            85 
      1  -0.459181D+01  0.167860D+01  0.194240D+01  0.832960D-01  0.127941D+01
      2   0.911596D+01 -0.100114D+01 -0.110827D+01  0.152926D+01 -0.177436D+01
      3   0.251281D+01  0.208331D+01 -0.508135D-01 -0.634478D+00  0.588690D+01
                86            87            88            89            90 
      1   0.978863D+01 -0.488279D+01  0.137843D+00 -0.234027D+01  0.120472D+00
      2  -0.147479D+01  0.839314D+00 -0.524853D-01  0.483974D+00  0.167998D+00
      3  -0.273659D+01  0.393277D+00 -0.195590D+01  0.648282D+00 -0.559369D+00
                91            92            93            94            95 
      1  -0.244533D+01 -0.460659D+00  0.296111D+01 -0.685617D+00 -0.143988D+01
      2   0.139244D+01  0.503085D+00 -0.640792D+00  0.120935D+01  0.641045D+00
      3  -0.223926D+01 -0.227201D+01  0.170996D+01 -0.614845D+00  0.110072D+01
                96            97            98            99           100 
      1   0.141216D+01  0.251096D+01  0.162455D+01 -0.185006D+02  0.803189D+01
      2  -0.535160D+00 -0.561269D+01  0.872915D+00  0.582784D+01  0.110944D+02
      3  -0.564171D+00  0.378436D+01 -0.727838D+00 -0.224797D+01 -0.110334D+02
               101           102           103           104           105 
      1  -0.110363D+01  0.348279D+01  0.359940D+00  0.331607D+00 -0.867485D-01
      2  -0.508208D+01  0.851488D+01  0.133907D+01 -0.140625D+01  0.470070D+00
      3  -0.309798D+01 -0.385521D+01 -0.111988D+01  0.119701D+01 -0.386295D-01
               106           107           108           109           110 
      1   0.335993D+01  0.746096D+00  0.142100D+01  0.206851D+01 -0.196616D+01
      2   0.243834D+01  0.222211D+01  0.505209D+01 -0.170967D+00 -0.289374D+01
      3  -0.925263D+01  0.110239D+01 -0.193517D+01  0.240460D+01  0.350383D+01
               111           112           113           114           115 
      1  -0.185498D+01  0.153572D+01 -0.285590D+01 -0.563251D+01 -0.210923D+01
      2  -0.891718D+00 -0.142650D+01 -0.748626D+01 -0.385720D+01 -0.841975D+00
      3   0.263191D+01  0.181679D+01  0.197784D+02  0.810072D+01  0.122257D+01
               116           117           118           119           120 
      1   0.133107D+01 -0.326764D+01  0.653718D+00  0.662488D+00 -0.719399D-01
      2  -0.500868D+01 -0.222175D+01 -0.543635D+00 -0.430786D+00  0.106968D+01
      3   0.126032D+02  0.416584D+01 -0.751163D-02 -0.109792D+01 -0.230286D+00
               121           122           123           124           125 
      1  -0.406260D+00  0.597939D+01 -0.125651D+01 -0.914991D-02  0.357709D+01
      2  -0.297494D+01 -0.207600D+00  0.318388D+00 -0.259032D+01 -0.582897D+00
      3   0.512314D+01  0.367326D-01  0.238783D+00  0.134686D+01  0.166079D+00
               126           127           128           129           130 
      1  -0.776572D+00 -0.952035D+01  0.230072D+01  0.289646D+01  0.616132D+01
      2  -0.406109D+00  0.143054D+02  0.129266D+01  0.101944D+02  0.241601D+01
      3   0.260710D+00  0.243965D+01  0.158937D+01  0.710028D+01  0.612685D+01
               131           132           133           134           135 
      1   0.153466D+02 -0.953081D+01  0.338745D+01 -0.557084D+00 -0.669860D+01
      2  -0.212288D+01  0.274698D+01  0.533291D+01  0.341537D+01 -0.441393D+01
      3   0.762226D+01 -0.120872D+01  0.697824D+01  0.233988D+00 -0.622359D+01
               136           137           138           139           140 
      1  -0.249151D+01 -0.621783D-01  0.273267D+01 -0.131189D+01 -0.153435D+01
      2   0.129911D+02 -0.205468D+01 -0.830598D+01 -0.323801D+01 -0.204961D+01
      3  -0.878312D+01  0.573746D+01  0.373468D+01  0.162257D+02  0.212193D+02
               141           142           143           144           145 
      1  -0.539929D+01  0.436313D+01 -0.927029D+00  0.425758D+01 -0.174127D+01
      2   0.958551D+01 -0.202388D+02  0.943745D+01 -0.114403D+02 -0.569945D-01
      3   0.375001D+01  0.420947D+01  0.283732D+01 -0.123226D+02 -0.742268D+01
               146           147           148           149           150 
      1   0.303673D+00  0.321194D+01  0.457560D+00 -0.147636D+01 -0.421796D+01
      2   0.668843D+00  0.358231D+01 -0.570981D+00 -0.567510D+00 -0.234817D+01
      3  -0.113558D+01  0.901584D+00  0.502400D+01  0.145949D+00  0.224648D+00
               151           152           153           154           155 
      1   0.174413D+01 -0.665547D+00 -0.627515D+00  0.313996D+01  0.301434D+01
      2  -0.346014D+00 -0.122093D+01 -0.567306D+00 -0.102300D+02  0.326402D+00
      3   0.172580D+01  0.112154D+01 -0.133962D+00 -0.607973D+01 -0.193603D+01
               156           157           158           159           160 
      1   0.431887D+01  0.102883D+01  0.131776D+01 -0.643376D+00  0.331838D+01
      2  -0.266907D+01 -0.600763D+00 -0.647920D+00 -0.826357D+00 -0.674372D+01
      3  -0.343785D+01  0.100392D+01 -0.118943D-01 -0.399156D+00 -0.333579D+01
               161           162           163           164           165 
      1   0.250696D+01  0.360177D+01 -0.175987D+01 -0.488778D+01 -0.366152D+00
      2  -0.116675D+00 -0.239854D+01  0.982044D+01  0.510339D+01 -0.414520D+01
      3  -0.120327D+01 -0.322191D+01  0.599010D+01  0.175576D+01 -0.357699D+01
               166           167           168           169           170 
      1  -0.223046D+01 -0.386430D+01 -0.147071D+01  0.400555D+00  0.246559D+01
      2   0.452601D+01  0.508246D+01 -0.322493D+01 -0.466914D+01 -0.329128D+01
      3   0.474948D+01  0.207892D+01 -0.249423D+01 -0.281825D+01 -0.454267D+00
               171           172           173           174           175 
      1   0.107445D+00  0.430182D+01  0.352597D+01  0.232381D+01  0.232433D+01
      2   0.292302D+01 -0.186350D+02 -0.182076D+01 -0.357328D+01 -0.213596D+01
      3   0.232684D+01 -0.736693D+01 -0.230990D+01 -0.259450D+01  0.532193D+00
               176           177           178           179           180 
      1   0.943107D+00  0.346672D+00  0.227195D+01  0.221794D+01  0.239032D+01
      2  -0.169400D+01 -0.650811D+00 -0.661415D+01 -0.778881D+00 -0.405932D+01
      3  -0.105549D+01 -0.226238D-01 -0.251205D+01 -0.879775D+00 -0.156847D+01
               181           182           183           184           185 
      1  -0.107740D+01 -0.187110D+01 -0.611671D+00 -0.327698D+01 -0.165253D+02
      2  -0.831220D+00  0.939804D+00  0.582673D+00  0.280466D+01 -0.422400D+00
      3  -0.130166D+01 -0.118068D+01  0.110949D+00  0.308706D+01 -0.931253D+01
               186           187           188           189           190 
      1  -0.128198D+01 -0.479516D+00  0.536538D+00 -0.109679D+01  0.543565D+01
      2   0.204587D+01 -0.970074D+00  0.230717D+00  0.359069D+00  0.406540D+01
      3   0.252892D+01 -0.219521D+00 -0.416041D+00 -0.206451D+00  0.384122D+01
               191           192           193           194           195 
      1  -0.401525D+01 -0.521965D+01 -0.309169D+01  0.221871D+01  0.349813D+01
      2  -0.110898D+01  0.681580D+00 -0.236618D+01 -0.765299D-03 -0.124971D+01
      3  -0.360685D+01 -0.366607D+01 -0.162890D+01  0.137651D+01  0.224781D+01
               196           197           198           199           200 
      1  -0.429624D+01  0.461076D+01  0.747299D+01 -0.159883D+01  0.799478D+00
      2  -0.508774D+01  0.509492D-01 -0.963597D+00  0.293099D+01 -0.735976D-01
      3  -0.298784D+01  0.229018D+01  0.388753D+01  0.290212D+01 -0.192413D+01
               201           202           203           204           205 
      1  -0.100116D+01  0.460621D+00 -0.172456D+01  0.152068D+01 -0.134751D+01
      2   0.497199D+01  0.665845D+00  0.358139D+01 -0.665217D+01  0.309062D+01
      3   0.155683D+01 -0.120981D+01  0.213021D+01 -0.415358D+01  0.109325D+01
               206           207           208           209           210 
      1   0.469211D+01 -0.534361D+01  0.188019D+01 -0.940067D+00 -0.894571D+00
      2  -0.564240D+01  0.181899D+02 -0.100133D+02  0.182847D+01  0.996371D+01
      3  -0.577075D+01  0.670592D+01  0.850464D+01 -0.648377D+01 -0.320383D+01
               211           212           213           214           215 
      1  -0.379722D+00  0.880321D+00 -0.291969D+00 -0.187585D+01  0.171543D+01
      2   0.346330D+01 -0.232462D+01 -0.452892D+01  0.859225D+01 -0.293180D+01
      3  -0.508550D+01  0.227306D+01  0.213506D+01 -0.476164D+01  0.467147D+01
               216           217           218           219           220 
      1   0.933146D+00  0.522838D+00  0.390399D+00 -0.497210D+00  0.352571D+00
      2  -0.897337D+01 -0.707724D+00 -0.291628D-01  0.192572D+01  0.485338D+00
      3   0.427428D+01 -0.270602D+01 -0.370757D+01 -0.537717D+00 -0.514305D+01
               221           222           223           224           225 
      1   0.268423D+01 -0.386498D+01 -0.508892D+00  0.497907D+00 -0.410898D+00
      2   0.119376D+01  0.376228D+01  0.177558D+01  0.137770D+01  0.118939D+01
      3  -0.244735D+02 -0.190057D+01 -0.106649D+01 -0.164967D+01 -0.140142D+01
               226           227           228           229           230 
      1   0.211011D+01  0.222444D+01 -0.239966D+01  0.165300D+01  0.303393D+01
      2  -0.354776D+01 -0.345734D+01  0.466243D+01 -0.354969D+01 -0.405141D+01
      3  -0.202749D+01 -0.242877D+01  0.869655D+00  0.259170D+01 -0.912337D+01
               231           232           233           234 
      1  -0.394289D+01 -0.163680D+01 -0.427560D+01  0.236352D+01
      2   0.294780D+01  0.347406D+01  0.456584D+01 -0.691690D+01
      3   0.134965D+01  0.586903D+00  0.592154D+01 -0.841616D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.810957D+01 -0.106077D+02 -0.713616D+01 -0.222295D+01  0.153550D-01
      2   0.734438D+01  0.643560D+01  0.963727D+01  0.272971D+00  0.792143D+00
      3   0.765193D+00  0.417210D+01 -0.250111D+01  0.194998D+01 -0.807498D+00
      4  -0.815717D+01 -0.189013D+02  0.250816D+01 -0.454124D+01 -0.248096D+02
      5  -0.101421D+02  0.181923D+00 -0.176486D+02  0.706202D+01  0.488707D+01
      6  -0.177985D+01  0.882797D+01 -0.204005D+01  0.478984D+01  0.395035D+01
                 6             7             8             9            10 
      1   0.870094D+01 -0.883137D+01  0.826561D+01 -0.140850D+02 -0.581128D+01
      2  -0.273781D+01  0.130011D+02  0.251461D+00  0.120562D+02  0.512419D+01
      3  -0.596312D+01 -0.416976D+01 -0.851707D+01  0.202878D+01  0.687091D+00
      4   0.779866D+01  0.801008D+01  0.194397D+02 -0.117904D+02 -0.144439D+01
      5   0.142539D+01 -0.226993D+02 -0.549061D+01 -0.906685D+01  0.232975D+01
      6  -0.292296D+01 -0.611189D+01 -0.756953D+01 -0.736625D+00  0.778733D+01
                11            12            13            14            15 
      1   0.926670D+01 -0.154606D+01  0.141586D+02  0.233838D+02 -0.266590D+01
      2  -0.137433D+02 -0.262363D+00 -0.168040D+02 -0.469901D+02  0.561102D+00
      3   0.447659D+01  0.180842D+01  0.264538D+01  0.236063D+02  0.210479D+01
      4  -0.385998D+01  0.215680D+01  0.268298D+01 -0.145825D+02 -0.654882D+00
      5   0.145570D+01  0.800670D+00  0.164212D+01 -0.375829D+01  0.812286D+00
      6  -0.187241D+01  0.746840D+01 -0.374136D+01 -0.310051D+01  0.459511D+01
                16            17            18            19            20 
      1  -0.206723D+01 -0.479167D+01  0.159675D+02 -0.178197D+02  0.963534D+01
      2  -0.356725D+01  0.123652D+02  0.806948D+01 -0.739447D+01  0.129817D+02
      3   0.563448D+01 -0.757357D+01 -0.240370D+02  0.252142D+02 -0.226171D+02
      4   0.205469D+01 -0.231975D+01  0.389281D+01  0.601351D+02 -0.424791D+02
      5   0.467764D+01  0.788415D+00  0.330013D+01  0.274570D+02 -0.739269D+01
      6   0.592616D+01  0.140224D+01 -0.189531D+02 -0.120251D+02  0.146787D+01
                21            22            23            24            25 
      1   0.152200D+02  0.250581D+02 -0.192608D+02 -0.133565D+02 -0.242201D+01
      2  -0.118715D+02 -0.330684D+01 -0.775622D+01  0.185675D+02 -0.609205D+00
      3  -0.334850D+01 -0.217513D+02  0.270170D+02 -0.521102D+01  0.303121D+01
      4  -0.800607D+01 -0.522511D+02  0.663149D+02  0.711003D-01 -0.353347D+01
      5  -0.121864D+02 -0.222042D+02  0.423662D+01  0.188473D+02  0.116417D+02
      6   0.118238D+02  0.899227D+01  0.386708D+01 -0.724580D+01 -0.138539D+00
                26            27            28            29            30 
      1  -0.297772D+01 -0.397075D+01  0.840891D+01 -0.113010D+02 -0.261114D+02
      2   0.643183D+01 -0.876958D+01  0.424413D+01 -0.920358D+01  0.182065D+02
      3  -0.345411D+01  0.127403D+02 -0.126530D+02  0.205046D+02  0.790494D+01
      4  -0.319216D+01  0.798866D+01 -0.397169D+02  0.485017D+02  0.217106D+02
      5   0.667389D+00 -0.429719D+01 -0.477368D+02  0.184814D+02  0.211018D+02
      6   0.824587D+01 -0.130239D+01  0.231470D+02 -0.126262D+02 -0.113101D+02
                31            32            33            34            35 
      1  -0.171435D+02  0.209759D+02  0.196451D+02 -0.387275D+02  0.264219D+02
      2  -0.912242D+01  0.757858D+01 -0.256969D+02  0.258201D+02 -0.310964D+02
      3   0.262659D+02 -0.285545D+02  0.605176D+01  0.129074D+02  0.467448D+01
      4   0.580567D+02 -0.562961D+02  0.912466D+01  0.175202D+02  0.123782D+02
      5   0.115599D+02  0.103914D+02 -0.156559D+02  0.261068D+02 -0.198800D+02
      6  -0.587427D+01 -0.221387D+02  0.955030D+01 -0.157689D+02  0.147572D+02
                36            37            38            39            40 
      1   0.341593D+01  0.491599D+01 -0.685312D+01  0.243301D+01 -0.125534D+02
      2  -0.496777D+01  0.611496D+01  0.253020D+00 -0.540244D+01 -0.392009D+00
      3   0.155185D+01 -0.110309D+02  0.660010D+01  0.296943D+01  0.129454D+02
      4  -0.185507D+02 -0.342958D+02  0.107179D+02  0.446390D+01  0.695661D+01
      5  -0.121914D+02 -0.497683D+01 -0.282917D+00 -0.824865D+00  0.479500D+01
      6  -0.141479D+01  0.526209D+01 -0.864665D+01 -0.394284D+01 -0.963226D+01
                41            42            43            44            45 
      1   0.281766D+02  0.748873D+01  0.188460D+02  0.508970D+01  0.411760D+01
      2  -0.732846D+01 -0.368847D+01 -0.121086D+02 -0.765682D+01 -0.219234D+00
      3  -0.208481D+02 -0.380025D+01 -0.673739D+01  0.256712D+01 -0.389836D+01
      4  -0.109100D+02 -0.252759D+01  0.145758D+02 -0.648060D+01 -0.646018D+01
      5  -0.703301D+01  0.287990D+01 -0.841912D+01  0.410628D+01 -0.217132D+01
      6  -0.235570D+01 -0.221603D+02 -0.126151D+01 -0.180935D+02 -0.125715D+01
                46            47            48            49            50 
      1  -0.163074D+02 -0.681175D+01 -0.150928D+02 -0.299488D+01 -0.479511D+00
      2   0.946704D+00  0.414695D+01  0.131726D+02  0.795952D+01  0.169248D+01
      3   0.153607D+02  0.266480D+01  0.192022D+01 -0.496464D+01 -0.121297D+01
      4   0.263756D+01  0.434064D+01 -0.955520D+01  0.971441D+00  0.226564D+02
      5  -0.167512D+02 -0.150631D+01  0.987797D+01 -0.749845D+00 -0.155103D+01
      6  -0.645218D+01  0.153359D+00  0.376180D+01  0.101171D+01 -0.878007D+01
                51            52            53            54            55 
      1  -0.738051D+01 -0.211133D+02 -0.482434D+01  0.106630D+02 -0.434780D+01
      2  -0.427878D+01  0.155824D+02  0.186733D+01 -0.743638D+01 -0.864055D+01
      3   0.116593D+02  0.553091D+01  0.295702D+01 -0.322658D+01  0.129884D+02
      4  -0.161508D+01 -0.211880D+02 -0.319306D+00  0.143266D+01  0.197786D+02
      5  -0.522756D+01  0.129311D+02 -0.567200D+01  0.247721D+01  0.533779D+01
      6   0.348426D+01  0.402868D+01 -0.730819D+00  0.759884D+00 -0.583469D+01
                56            57            58            59            60 
      1   0.329665D+01  0.420475D+01 -0.350046D+01 -0.148154D+02  0.118042D+01
      2   0.131008D+02 -0.567503D+01  0.115660D+02  0.663399D+01  0.155780D+01
      3  -0.163974D+02  0.147028D+01 -0.806556D+01  0.818140D+01 -0.273822D+01
      4  -0.240681D+02 -0.551004D+01 -0.236682D+02  0.110493D+02  0.647343D+01
      5  -0.397178D+01 -0.100329D+01 -0.713859D+01  0.692360D+01  0.277171D+01
      6  -0.155941D+01 -0.954904D+01  0.970607D+00  0.403799D+01 -0.973789D+00
                61            62            63            64            65 
      1   0.331965D+01  0.405367D+01  0.327923D+01  0.722546D+01  0.104378D+02
      2  -0.223113D+01 -0.101376D+02  0.561308D+01  0.627717D+01 -0.727629D+01
      3  -0.108852D+01  0.608393D+01 -0.889231D+01 -0.135026D+02 -0.316151D+01
      4  -0.136566D+01  0.889597D+01 -0.275694D+01  0.162219D+00 -0.518777D+01
      5   0.104885D+01  0.205598D+00 -0.929784D+00 -0.537803D+01  0.805428D+01
      6  -0.534100D+01  0.295191D+01  0.124911D+02  0.131363D+02  0.164571D+02
                66            67            68            69            70 
      1  -0.426817D+01  0.175825D+02 -0.108970D+02 -0.189107D+01  0.775805D+00
      2   0.156622D+02 -0.475819D+01  0.439548D+01 -0.710665D+01  0.121231D+02
      3  -0.113940D+02 -0.128243D+02  0.650148D+01  0.899771D+01 -0.128989D+02
      4   0.797675D+01 -0.410180D+01 -0.394391D+01  0.374170D+01 -0.569338D+00
      5  -0.179545D+02  0.134580D+01  0.963982D+01 -0.101192D+02 -0.161259D+02
      6  -0.156469D+01  0.147269D+02 -0.133067D+02 -0.502899D+00  0.219911D+01
                71            72            73            74            75 
      1  -0.599332D+01 -0.631363D+01  0.242284D+02  0.268013D+01  0.116513D+02
      2   0.731446D+00 -0.224720D+01 -0.185000D+02 -0.232303D+01 -0.121557D+02
      3   0.526188D+01  0.856083D+01 -0.572836D+01 -0.357097D+00  0.504404D+00
      4   0.659008D+01  0.316548D+01  0.875137D+01  0.940032D+01  0.586641D+01
      5  -0.278156D+01 -0.528210D+01  0.208832D+02  0.371959D+01  0.186654D+02
      6  -0.330721D+01  0.225855D+01  0.267267D+01  0.130295D+01  0.361616D+01
                76            77            78            79            80 
      1  -0.498838D+01  0.103734D+01 -0.269423D+01  0.144383D+02 -0.353801D+00
      2   0.457005D+01 -0.344368D+00  0.343476D+01 -0.158225D+02 -0.369552D+00
      3   0.418333D+00 -0.692967D+00 -0.740530D+00  0.138418D+01  0.723353D+00
      4   0.610389D+01  0.104184D+01  0.265464D+01  0.705589D+01  0.334490D+01
      5  -0.319246D+01  0.371340D+01 -0.247438D+01  0.235211D+02  0.543632D+01
      6   0.229674D+01 -0.109198D+00  0.389775D+01  0.406849D+01  0.481389D+01
                81            82            83            84            85 
      1   0.802408D+01 -0.459549D+00 -0.265009D+01 -0.307276D+00 -0.435217D+01
      2  -0.168512D+02  0.690831D+01  0.890085D+01  0.100206D+01  0.108612D+02
      3   0.882709D+01 -0.644876D+01 -0.625076D+01 -0.694784D+00 -0.650906D+01
      4   0.846307D+01  0.718529D+01  0.146937D+02  0.944241D+00  0.115358D+02
      5   0.266979D+02  0.160517D+01  0.242058D+01  0.212363D+01  0.207936D+01
      6   0.538280D+01  0.992484D+00  0.263527D+01  0.586623D+00  0.343102D+01
                86            87            88            89            90 
      1  -0.412070D+02 -0.374654D+01  0.415210D+00  0.300734D+01 -0.563072D+01
      2   0.757879D+02  0.365640D+01 -0.940619D+00 -0.822808D+01  0.460702D+01
      3  -0.345809D+02  0.901423D-01  0.525409D+00  0.522074D+01  0.102370D+01
      4   0.233212D+02  0.213982D+01 -0.136495D+01 -0.257690D+01  0.146786D+01
      5   0.314868D+01  0.178018D+01  0.107055D+01  0.203302D+01 -0.230563D+00
      6   0.148565D+02  0.912818D+01  0.450170D+00  0.854030D+01  0.171316D+01
                91            92            93            94            95 
      1  -0.928185D+00  0.105265D+01  0.342250D+01 -0.173896D+01 -0.591002D+01
      2  -0.358063D+01 -0.217500D+00 -0.155597D+00  0.810697D+00  0.579610D+01
      3   0.450882D+01 -0.835153D+00 -0.326690D+01  0.928263D+00  0.113913D+00
      4  -0.184756D+01  0.336554D+01  0.307141D+01  0.645297D+00 -0.292003D+00
      5  -0.210013D+01  0.936901D+00  0.655014D+01 -0.320280D+00 -0.118357D+00
      6   0.229931D+01 -0.251026D+01 -0.503400D+01 -0.101737D+01  0.350849D+01
                96            97            98            99           100 
      1  -0.154330D+01  0.443198D+01 -0.857695D+01 -0.261854D+02  0.627606D+02
      2   0.344837D+01  0.103539D+01  0.298061D+01 -0.130471D+02 -0.286507D+02
      3  -0.190507D+01 -0.546737D+01  0.559634D+01  0.392325D+02 -0.341099D+02
      4  -0.183784D+00  0.352515D+01  0.280711D+00 -0.287651D-01 -0.335073D+02
      5  -0.582853D+00  0.498205D+01  0.682712D+00  0.227952D+01  0.191837D+02
      6   0.494151D+01 -0.270017D+01  0.126235D+02  0.301945D+02 -0.111026D+02
               101           102           103           104           105 
      1  -0.115733D+02  0.162425D+02 -0.136361D+01  0.475448D+01  0.116452D+01
      2   0.202029D+01 -0.818835D+01 -0.357229D+01  0.293988D+01 -0.401104D+00
      3   0.955298D+01 -0.805419D+01  0.493591D+01 -0.769437D+01 -0.763418D+00
      4   0.182899D+02 -0.105248D+02  0.132373D+02 -0.102561D+02 -0.450044D+00
      5  -0.627456D+01  0.111549D+02  0.369902D+01 -0.143407D+01 -0.220092D+00
      6   0.413850D+01 -0.599797D+01 -0.599459D+00  0.169521D+01  0.153655D+01
               106           107           108           109           110 
      1   0.333774D+02 -0.834725D+01  0.818485D+01  0.439471D+01 -0.997453D+01
      2  -0.182607D+02  0.385661D+01 -0.667734D+01  0.180683D+01  0.653256D+01
      3  -0.151167D+02  0.449064D+01 -0.150752D+01 -0.620154D+01  0.344197D+01
      4  -0.145448D+02  0.271410D+01 -0.326596D+01 -0.558864D+01  0.459352D+01
      5   0.922182D+01  0.306882D+00  0.894270D+01  0.156640D+01 -0.278092D+01
      6  -0.371703D+01  0.124473D+01 -0.285977D+01 -0.248697D-01  0.653391D+01
               111           112           113           114           115 
      1  -0.280213D+01 -0.251572D+01 -0.254678D+02 -0.108274D+02  0.618310D+00
      2   0.280618D+01 -0.261312D+01  0.426248D+02  0.135420D+02 -0.257064D+01
      3  -0.404509D-02  0.512884D+01 -0.171570D+02 -0.271470D+01  0.195233D+01
      4  -0.259864D+01  0.130637D+02 -0.321566D+02 -0.117528D+02 -0.291477D+00
      5  -0.106503D+01  0.340409D+01 -0.142056D+02 -0.841167D+01  0.163087D+00
      6   0.364450D+01 -0.382986D+01  0.226664D+02  0.131918D+02  0.842674D+00
               116           117           118           119           120 
      1  -0.167746D+02 -0.907283D+01 -0.672504D-01 -0.142299D+01 -0.164587D+01
      2   0.219714D+02  0.734820D+01  0.148811D+00  0.458758D+00  0.318942D+00
      3  -0.519687D+01  0.172463D+01 -0.815604D-01  0.964229D+00  0.132692D+01
      4  -0.118330D+02 -0.404945D+01  0.254926D+01  0.800936D+01  0.382208D+01
      5  -0.555701D+01 -0.354528D+01  0.730200D+00  0.485165D+01  0.605487D+01
      6   0.115876D+02  0.876722D+01  0.499633D+01  0.204469D+01  0.300444D+01
               121           122           123           124           125 
      1  -0.340940D+01 -0.188154D+02 -0.134251D+02 -0.572707D+00 -0.106604D+02
      2   0.184446D+01  0.155561D+02  0.588063D+01  0.606684D+00  0.251974D+01
      3   0.156493D+01  0.325930D+01  0.754449D+01 -0.339768D-01  0.814065D+01
      4   0.637357D+01  0.541383D+01  0.304626D+01  0.724387D+00  0.217427D+01
      5   0.351115D+01  0.162972D+01  0.223117D+01  0.325397D+01  0.157519D+01
      6   0.233477D+01  0.230985D+02  0.196501D+02  0.271307D+01  0.170760D+02
               126           127           128           129           130 
      1  -0.153007D+02  0.125450D+02  0.345718D+01  0.776207D+01  0.647541D+01
      2  -0.102717D+01  0.114574D+02 -0.649919D+01 -0.139905D+02 -0.138366D+02
      3   0.163278D+02 -0.240025D+02  0.304201D+01  0.622846D+01  0.736119D+01
      4   0.342908D+01  0.748938D+01  0.551169D+00  0.425410D+01 -0.147768D+01
      5   0.127935D+01  0.708765D+01 -0.481250D+01 -0.219973D+02 -0.646621D+01
      6   0.165655D+02 -0.461295D-01  0.360900D+01  0.293672D+01  0.595193D+01
               131           132           133           134           135 
      1   0.100793D+02  0.294879D+01  0.623133D+01  0.601269D+01 -0.136093D+02
      2  -0.257434D+02  0.151200D+02 -0.121575D+02  0.571639D+01  0.133138D+02
      3   0.156641D+02 -0.180688D+02  0.592612D+01 -0.117291D+02  0.295494D+00
      4  -0.193053D+02  0.215350D+01  0.580033D+01 -0.248492D+00  0.187566D+01
      5   0.458663D+01  0.110839D+02 -0.221780D+02  0.616719D+01  0.111154D+02
      6   0.227719D+02  0.889477D+00  0.989694D+00  0.512654D+01 -0.136129D+02
               136           137           138           139           140 
      1  -0.142435D+00  0.173743D+02  0.264810D+02  0.248190D+02  0.190663D+00
      2   0.281013D+01 -0.131361D+02 -0.129242D+02 -0.221764D+02 -0.152886D+02
      3  -0.266769D+01 -0.423830D+01 -0.135567D+02 -0.264267D+01  0.150980D+02
      4   0.163102D+02 -0.605829D+01  0.290735D+01 -0.127228D+02 -0.381639D+02
      5   0.280885D+02 -0.968770D+00 -0.142762D+02 -0.311854D+01 -0.424897D+01
      6   0.455280D+01 -0.869107D+00 -0.136123D+01 -0.177825D+01 -0.639709D+01
               141           142           143           144           145 
      1  -0.624763D+00  0.333451D+02 -0.198257D+01 -0.201086D+02  0.159708D+02
      2  -0.184971D+01 -0.165018D+02 -0.241658D+01  0.170063D+02  0.394841D+01
      3   0.247447D+01 -0.168434D+02  0.439916D+01  0.310237D+01 -0.199192D+02
      4  -0.358318D+01  0.409057D+01 -0.357498D+01  0.122609D+02 -0.322325D+02
      5   0.152193D+02 -0.216510D+02  0.140743D+02 -0.159965D+02 -0.429398D+01
      6   0.206258D+01 -0.215087D+01  0.288544D+01 -0.172226D+01  0.205778D+01
               146           147           148           149           150 
      1  -0.549433D+01 -0.202740D+01 -0.854494D+00 -0.461633D+01 -0.528439D+00
      2  -0.117973D+02  0.119269D+00 -0.127468D+02  0.233211D+02  0.294960D+01
      3   0.172916D+02  0.190813D+01  0.136013D+02 -0.187047D+02 -0.242116D+01
      4   0.295065D+02  0.406218D+01  0.246916D+02 -0.277112D+02 -0.362565D+01
      5   0.253565D+01  0.595125D+01  0.195543D+01 -0.274255D+01 -0.236810D+01
      6  -0.178137D+01 -0.319603D+01 -0.153598D+01  0.240611D+01  0.659953D+01
               151           152           153           154           155 
      1  -0.148641D+01 -0.443461D+00 -0.125687D+01  0.318931D+01  0.253702D+01
      2  -0.822162D-02  0.343080D+01  0.236200D+01 -0.129034D+02  0.966083D-01
      3   0.149463D+01 -0.298734D+01 -0.110512D+01  0.971405D+01 -0.263363D+01
      4   0.391479D+01 -0.403236D+01 -0.546282D+01 -0.466581D+01  0.455017D+01
      5   0.585459D+01 -0.460308D+01 -0.235024D+01  0.203412D+02 -0.534897D+01
      6  -0.418272D+01  0.828734D+01  0.867785D+00 -0.946855D+01  0.504580D+01
               156           157           158           159           160 
      1  -0.427391D+01 -0.166015D+01 -0.578022D+00  0.977843D+00 -0.322090D+01
      2  -0.127708D+02 -0.535476D+00 -0.899189D+00 -0.180322D+01 -0.111387D+02
      3   0.170447D+02  0.219563D+01  0.147721D+01  0.825373D+00  0.143596D+02
      4  -0.569437D+01  0.525869D+01 -0.157040D+01  0.258340D+01 -0.423026D+01
      5   0.197980D+02 -0.106516D+01  0.319865D+01 -0.961110D+00  0.172727D+02
      6  -0.101725D+02  0.275723D+01 -0.234925D+01  0.720162D+01 -0.701891D+01
               161           162           163           164           165 
      1   0.388549D+01 -0.117358D+02 -0.369544D+01 -0.818359D+01  0.913945D+01
      2   0.950474D+00 -0.167741D+02 -0.125561D+01  0.458287D+01  0.117887D+01
      3  -0.483597D+01  0.285099D+02  0.495105D+01  0.360072D+01 -0.103183D+02
      4   0.220338D+01 -0.379320D+01  0.840987D+01  0.844725D+01 -0.704898D+01
      5  -0.319911D+01  0.207291D+02 -0.115978D+02 -0.794948D+01  0.130304D+02
      6   0.788136D+01 -0.131569D+02 -0.101741D+02 -0.141573D+02  0.132088D+02
               166           167           168           169           170 
      1  -0.522976D+01 -0.107306D+02  0.967839D+01  0.380784D+01  0.778570D+01
      2   0.287473D+01  0.100224D+02 -0.186396D+01  0.662868D+00 -0.240773D+00
      3   0.235503D+01  0.708170D+00 -0.781444D+01 -0.447071D+01 -0.754492D+01
      4   0.782946D+01  0.602924D+01 -0.497037D+01 -0.460983D+01 -0.441554D+01
      5  -0.558304D+01 -0.691476D+01  0.534283D+01  0.906722D+01  0.500116D+01
      6  -0.899399D+01 -0.145270D+02  0.154487D+02  0.641695D+01  0.125095D+02
               171           172           173           174           175 
      1  -0.112299D+02 -0.483281D+01  0.775422D+00 -0.105483D+02 -0.118920D+01
      2  -0.343917D+01 -0.445412D+01 -0.718098D+00 -0.379127D+01  0.154390D+01
      3   0.146691D+02  0.928693D+01 -0.573242D-01  0.143396D+02 -0.354699D+00
      4   0.470917D+01 -0.940583D+01  0.364627D+00 -0.197761D+01  0.148520D+01
      5  -0.793917D+01  0.131698D+02  0.172110D+01  0.817659D+01  0.173513D+01
      6  -0.151814D+02  0.151376D+00  0.413137D+01 -0.545905D+01  0.208897D+01
               176           177           178           179           180 
      1  -0.306792D+01 -0.577250D+00 -0.614228D+01 -0.202878D+00 -0.631961D+01
      2   0.382452D+01 -0.274336D+01 -0.273426D+01 -0.118932D+01 -0.629739D+01
      3  -0.756608D+00  0.332061D+01  0.887654D+01  0.139220D+01  0.126170D+02
      4   0.124546D+01  0.915504D-01 -0.241398D+01  0.509525D+00 -0.306183D+01
      5   0.160804D+01 -0.168471D+01  0.100146D+02  0.152157D+00  0.496215D+01
      6  -0.173839D+01  0.229633D+01 -0.221955D+01  0.259784D+01 -0.173375D+01
               181           182           183           184           185 
      1  -0.462939D+00  0.146871D+01 -0.527225D+00 -0.893206D+00 -0.210781D+02
      2   0.163017D+01  0.178705D+01  0.148606D+01  0.564223D+01  0.382446D+02
      3  -0.116723D+01 -0.325576D+01 -0.958831D+00 -0.474903D+01 -0.171665D+02
      4   0.435359D+01  0.834505D+01 -0.254275D+01  0.107406D+02  0.218746D+02
      5  -0.261574D+01 -0.333513D+01  0.509634D+01 -0.447926D+01 -0.614768D+01
      6  -0.311386D+01 -0.333480D+01  0.116717D+01 -0.627537D+01 -0.308089D+02
               186           187           188           189           190 
      1   0.844197D+01  0.292794D+00  0.195268D+01 -0.267463D+01  0.868109D+01
      2  -0.584651D+01  0.193096D+01  0.171256D+01  0.897135D+00 -0.175049D+02
      3  -0.259546D+01 -0.222375D+01 -0.366524D+01  0.177749D+01  0.882383D+01
      4  -0.556874D+01  0.136272D+00  0.880052D+00  0.209011D+01  0.265426D+01
      5   0.425699D+01  0.309157D+01  0.136487D+01 -0.189525D+01 -0.236855D+02
      6   0.142399D+02  0.119584D+01  0.651926D+01 -0.309494D+01 -0.330080D+00
               191           192           193           194           195 
      1  -0.209998D+01 -0.138583D+01 -0.326452D+01 -0.763931D+00 -0.157074D+01
      2   0.389582D+01  0.172655D+02  0.708510D+01 -0.841647D+00 -0.911954D+01
      3  -0.179584D+01 -0.158797D+02 -0.382058D+01  0.160558D+01  0.106903D+02
      4   0.385548D+01 -0.335438D+01  0.301075D+01 -0.656235D+00 -0.297043D+01
      5   0.276706D+01  0.256129D+02  0.895912D+01 -0.575479D+01 -0.102559D+02
      6  -0.526119D+01  0.178610D+01 -0.438846D+01  0.181241D+01  0.526385D+01
               196           197           198           199           200 
      1  -0.117244D+01 -0.338469D+00 -0.673833D+01  0.926305D+01 -0.410865D+01
      2   0.139024D+02 -0.362297D+01 -0.224746D+02 -0.812489D+01  0.320500D+01
      3  -0.127300D+02  0.396144D+01  0.292129D+02 -0.113816D+01  0.903643D+00
      4  -0.223464D+01 -0.271309D+01  0.179961D+01 -0.286175D+01  0.289448D+01
      5   0.204835D+02 -0.315619D+01 -0.266059D+02  0.847125D+01 -0.312939D+01
      6   0.587732D+00  0.549465D+01 -0.916814D+00 -0.596118D+00  0.487694D+00
               201           202           203           204           205 
      1   0.586200D+01 -0.993276D+01  0.995339D+00 -0.210859D+01  0.128796D+02
      2  -0.633225D+01  0.674303D+01 -0.185564D+00  0.360114D+01 -0.111231D+02
      3   0.470247D+00  0.318973D+01 -0.809775D+00 -0.149256D+01 -0.175658D+01
      4  -0.176439D+01  0.458256D+01 -0.181033D+01  0.613989D+01  0.222098D+00
      5   0.142121D+02 -0.517964D+01  0.594934D+01 -0.103418D+02  0.209512D+02
      6   0.576106D+00  0.819509D+00 -0.133833D+01  0.237721D+01  0.243263D+01
               206           207           208           209           210 
      1  -0.475034D+00  0.710736D+01  0.549738D+02 -0.920403D+01 -0.184155D+02
      2   0.354190D+01 -0.173135D+02 -0.300968D+02  0.563521D+01  0.104819D+02
      3  -0.306686D+01  0.102061D+02 -0.248770D+02  0.356882D+01  0.793358D+01
      4   0.800322D+01 -0.543613D+01 -0.250219D+01  0.849409D+01  0.121862D+01
      5  -0.736986D+01  0.339047D+02 -0.196961D+02  0.314918D+01  0.158628D+02
      6   0.278176D+01  0.348271D+01 -0.193452D+01  0.774261D-01  0.190577D+01
               211           212           213           214           215 
      1  -0.200556D+02  0.722685D+01  0.490897D+01 -0.345499D+02  0.426838D+01
      2   0.118614D+02 -0.180785D+01 -0.279842D+01  0.201646D+02 -0.270433D+01
      3   0.819427D+01 -0.541900D+01 -0.211055D+01  0.143853D+02 -0.156405D+01
      4   0.109993D+02 -0.222477D+01 -0.410692D+01 -0.504467D+00 -0.661772D+01
      5   0.638656D+01 -0.400515D+01 -0.732284D+01  0.222693D+02 -0.488755D+01
      6  -0.759459D+00  0.149378D+01  0.139269D+01  0.173812D+01  0.121219D+01
               216           217           218           219           220 
      1   0.149185D+02  0.738530D+01  0.562057D+01 -0.111255D+01  0.984674D+01
      2  -0.122623D+02 -0.513410D+00 -0.649678D+00  0.981079D+00  0.464181D+01
      3  -0.265622D+01 -0.687189D+01 -0.497090D+01  0.131472D+00 -0.144886D+02
      4  -0.278061D+01  0.811261D+01  0.120488D+02  0.101062D+01  0.273155D+02
      5  -0.166951D+02 -0.691406D+00  0.168618D+01  0.320579D+01  0.426477D+01
      6  -0.129174D+01  0.756290D+00  0.839055D+00  0.246138D+00  0.342486D+01
               221           222           223           224           225 
      1  -0.442335D+01  0.315451D+00 -0.291467D+01 -0.194718D+00  0.132035D+01
      2   0.267093D+02  0.870600D+00  0.131007D+01  0.764539D+00  0.172485D+00
      3  -0.222860D+02 -0.118605D+01  0.160460D+01 -0.569821D+00 -0.149284D+01
      4   0.498052D+02  0.455208D+01  0.116820D+01  0.290360D+01  0.432579D+01
      5   0.476047D+01  0.660895D+01  0.660203D+01  0.423104D+01  0.289887D+01
      6   0.790751D+01  0.687548D+01  0.288979D+01  0.633793D+01  0.149705D+01
               226           227           228           229           230 
      1   0.160515D+02  0.116262D+02 -0.497513D+01  0.745082D+01  0.279440D+01
      2  -0.564691D+01 -0.294092D+01  0.108027D+01  0.530739D+00  0.622829D+01
      3  -0.104046D+02 -0.868531D+01  0.389486D+01 -0.798156D+01 -0.902269D+01
      4   0.194043D+02  0.233059D+02 -0.629608D+01  0.159789D+02  0.276447D+02
      5  -0.640409D+01 -0.310787D+01  0.728303D+01 -0.290220D+01 -0.675910D+01
      6  -0.492910D+01 -0.513329D+01  0.389494D+01 -0.498820D+01 -0.602250D+01
               231           232           233           234 
      1  -0.324416D+01 -0.968011D+01 -0.453931D+01  0.549868D+01
      2  -0.178891D+01  0.351286D+01 -0.216325D+01 -0.337662D+01
      3   0.503307D+01  0.616725D+01  0.670256D+01 -0.212206D+01
      4  -0.837908D+01 -0.119475D+02 -0.219938D+02  0.105361D+02
      5   0.236615D+01  0.960508D+01  0.751220D+01 -0.920825D+01
      6   0.678524D+01  0.583976D+01  0.854560D+01 -0.564574D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul  9 20:56:56 2021, MaxMem= 17179869184 cpu:           16401.5 elap:            1370.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.19066 -10.18808 -10.18338 -10.18269 -10.18180
 Alpha  occ. eigenvalues --  -10.17891 -10.17588 -10.17139 -10.16628 -10.16317
 Alpha  occ. eigenvalues --   -0.88554  -0.79073  -0.75670  -0.73869  -0.68558
 Alpha  occ. eigenvalues --   -0.66248  -0.62218  -0.59491  -0.54797  -0.49620
 Alpha  occ. eigenvalues --   -0.48011  -0.47784  -0.44714  -0.43442  -0.42926
 Alpha  occ. eigenvalues --   -0.40889  -0.39747  -0.39270  -0.38125  -0.37404
 Alpha  occ. eigenvalues --   -0.36927  -0.35352  -0.34027  -0.32040  -0.30232
 Alpha  occ. eigenvalues --   -0.29720  -0.28325  -0.23961
 Alpha virt. eigenvalues --   -0.01100  -0.00285   0.00469   0.00516   0.00929
 Alpha virt. eigenvalues --    0.02315   0.02420   0.02514   0.02755   0.03629
 Alpha virt. eigenvalues --    0.04689   0.05054   0.05356   0.05723   0.05942
 Alpha virt. eigenvalues --    0.06704   0.06959   0.08260   0.08666   0.08777
 Alpha virt. eigenvalues --    0.09023   0.09218   0.09686   0.09912   0.10041
 Alpha virt. eigenvalues --    0.10437   0.10620   0.11026   0.11396   0.11636
 Alpha virt. eigenvalues --    0.11821   0.12076   0.12342   0.12780   0.13176
 Alpha virt. eigenvalues --    0.13352   0.13598   0.13959   0.14209   0.14657
 Alpha virt. eigenvalues --    0.15781   0.16274   0.16711   0.16921   0.17461
 Alpha virt. eigenvalues --    0.17582   0.18079   0.18252   0.19108   0.19365
 Alpha virt. eigenvalues --    0.19799   0.20342   0.20733   0.21003   0.21480
 Alpha virt. eigenvalues --    0.21856   0.22435   0.23213   0.23559   0.23928
 Alpha virt. eigenvalues --    0.24046   0.25296   0.25674   0.26331   0.26870
 Alpha virt. eigenvalues --    0.27405   0.27843   0.28128   0.28871   0.29119
 Alpha virt. eigenvalues --    0.30024   0.30615   0.30881   0.31672   0.31708
 Alpha virt. eigenvalues --    0.32411   0.32915   0.33433   0.33855   0.34257
 Alpha virt. eigenvalues --    0.35796   0.36172   0.36482   0.36963   0.37380
 Alpha virt. eigenvalues --    0.37869   0.38258   0.38503   0.38945   0.39215
 Alpha virt. eigenvalues --    0.39676   0.40418   0.40507   0.40802   0.41731
 Alpha virt. eigenvalues --    0.42052   0.42920   0.43710   0.44272   0.44737
 Alpha virt. eigenvalues --    0.45070   0.45537   0.46431   0.47135   0.47327
 Alpha virt. eigenvalues --    0.48278   0.49527   0.49788   0.50032   0.51133
 Alpha virt. eigenvalues --    0.51374   0.51740   0.52675   0.53491   0.53707
 Alpha virt. eigenvalues --    0.54333   0.55345   0.55466   0.55914   0.56606
 Alpha virt. eigenvalues --    0.56847   0.57512   0.57824   0.58085   0.59063
 Alpha virt. eigenvalues --    0.60025   0.60150   0.60783   0.61455   0.62126
 Alpha virt. eigenvalues --    0.62987   0.63359   0.63666   0.64192   0.64762
 Alpha virt. eigenvalues --    0.65057   0.65457   0.65573   0.66735   0.66927
 Alpha virt. eigenvalues --    0.67289   0.68254   0.68999   0.69314   0.69649
 Alpha virt. eigenvalues --    0.69804   0.71430   0.71670   0.72077   0.72177
 Alpha virt. eigenvalues --    0.73097   0.73821   0.74148   0.75185   0.76244
 Alpha virt. eigenvalues --    0.76434   0.76820   0.77262   0.77482   0.78727
 Alpha virt. eigenvalues --    0.79911   0.80250   0.80949   0.81727   0.82145
 Alpha virt. eigenvalues --    0.83238   0.84566   0.85044   0.85242   0.85931
 Alpha virt. eigenvalues --    0.88456   0.88800   0.89711   0.90811   0.91061
 Alpha virt. eigenvalues --    0.92620   0.95928   0.96510   0.96608   0.97424
 Alpha virt. eigenvalues --    0.99791   1.00715   1.01122   1.02355   1.03543
 Alpha virt. eigenvalues --    1.03625   1.05456   1.06219   1.07320   1.09332
 Alpha virt. eigenvalues --    1.09588   1.10371   1.11090   1.12538   1.16555
 Alpha virt. eigenvalues --    1.17487   1.18221   1.19245   1.20704   1.22702
 Alpha virt. eigenvalues --    1.23080   1.25258   1.26493   1.28617   1.29515
 Alpha virt. eigenvalues --    1.31571   1.33152   1.34105   1.36724   1.38431
 Alpha virt. eigenvalues --    1.39424   1.41478   1.42769   1.43807   1.44993
 Alpha virt. eigenvalues --    1.46713   1.47431   1.48429   1.50080   1.50772
 Alpha virt. eigenvalues --    1.52330   1.53253   1.54284   1.55453   1.57233
 Alpha virt. eigenvalues --    1.57957   1.59155   1.61117   1.62244   1.62854
 Alpha virt. eigenvalues --    1.63625   1.64883   1.65363   1.66956   1.69419
 Alpha virt. eigenvalues --    1.69827   1.70584   1.71787   1.72595   1.72739
 Alpha virt. eigenvalues --    1.74846   1.76686   1.78602   1.79436   1.81380
 Alpha virt. eigenvalues --    1.82406   1.83020   1.83710   1.83879   1.85499
 Alpha virt. eigenvalues --    1.86753   1.87324   1.89519   1.90477   1.91173
 Alpha virt. eigenvalues --    1.91335   1.94564   1.95609   1.96086   1.98800
 Alpha virt. eigenvalues --    1.98961   1.99954   2.01280   2.03703   2.03771
 Alpha virt. eigenvalues --    2.04545   2.06265   2.07181   2.07900   2.09796
 Alpha virt. eigenvalues --    2.10465   2.11251   2.12160   2.14977   2.15366
 Alpha virt. eigenvalues --    2.16880   2.17421   2.18135   2.19232   2.19526
 Alpha virt. eigenvalues --    2.21251   2.22767   2.23655   2.24733   2.26144
 Alpha virt. eigenvalues --    2.28078   2.28595   2.30150   2.31561   2.32191
 Alpha virt. eigenvalues --    2.34520   2.34830   2.37686   2.38905   2.40725
 Alpha virt. eigenvalues --    2.42188   2.42552   2.44619   2.46462   2.47249
 Alpha virt. eigenvalues --    2.48255   2.48626   2.50803   2.53190   2.53284
 Alpha virt. eigenvalues --    2.54562   2.55348   2.57327   2.58156   2.61978
 Alpha virt. eigenvalues --    2.62321   2.64846   2.65683   2.68174   2.71987
 Alpha virt. eigenvalues --    2.72833   2.76532   2.77251   2.79506   2.80801
 Alpha virt. eigenvalues --    2.84411   2.85815   2.86701   2.94017   2.94057
 Alpha virt. eigenvalues --    2.97809   3.07026   3.10870   3.15139   3.20750
 Alpha virt. eigenvalues --    3.34576   3.39842   4.03754   4.09424   4.42968
 Alpha virt. eigenvalues --    4.72859
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   12.097450  -1.185052  -2.335386  -0.879771  -1.242881  -0.693306
     2  C   -1.185052   8.064923   0.555940  -0.135586  -0.736793   0.706811
     3  C   -2.335386   0.555940  13.466793  -3.304569  -5.264586   1.000359
     4  C   -0.879771  -0.135586  -3.304569  12.092463  -1.455026   0.328218
     5  C   -1.242881  -0.736793  -5.264586  -1.455026  22.729397  -4.418876
     6  C   -0.693306   0.706811   1.000359   0.328218  -4.418876  16.191941
     7  C    1.885435  -2.580693  -2.373342   0.217787   4.561466  -5.577895
     8  C   -1.824337   0.731339   1.707611  -0.403093  -5.653676   2.702596
     9  H   -1.521669   0.280539   0.960725  -0.340878   0.236753  -0.030867
    10  H    0.255146  -0.634564   0.116331   0.009156  -0.014993   0.266513
    11  H    0.214196  -0.547737   0.047383   0.024795  -0.122504  -0.070538
    12  H    0.079533   0.022414   0.293743  -0.798382   0.172368  -0.080935
    13  H    0.067862  -0.053885   0.507360  -0.797027  -0.021215  -0.000730
    14  H    0.052930   0.161759   1.215551  -0.333835  -3.851398   0.443700
    15  C   -0.216958  -0.224753  -0.514466  -0.113027   1.726227  -2.882824
    16  C    0.271249  -0.319359   0.091910   0.171439  -0.773071  -2.037738
    17  H   -0.045050   0.645570   0.150878  -0.051923  -0.598776   0.581120
    18  H   -0.116630  -0.009895   0.303409   0.035534   0.336416  -0.205057
    19  H    0.292341   0.051296   0.187197  -0.008724  -0.945501   0.446336
    20  H   -0.045435  -0.015076  -0.031790   0.129849  -0.690025   0.689571
    21  H    0.048158  -0.037451   0.224941  -0.101842  -0.111461   0.226067
    22  H   -0.056593   0.082536   0.011951  -0.034007   0.101834   0.157364
    23  H    0.054846  -0.012635  -0.086984   0.025025   0.184410   1.059629
    24  H   -0.057063   0.082611  -0.027917   0.015303  -0.024372   0.056405
    25  H    0.023638  -0.054202   0.164965  -0.026496  -0.304219  -0.138453
    26  H   -0.016619   0.157122  -0.288964   0.025368  -0.102272  -0.087650
               7          8          9         10         11         12
     1  C    1.885435  -1.824337  -1.521669   0.255146   0.214196   0.079533
     2  C   -2.580693   0.731339   0.280539  -0.634564  -0.547737   0.022414
     3  C   -2.373342   1.707611   0.960725   0.116331   0.047383   0.293743
     4  C    0.217787  -0.403093  -0.340878   0.009156   0.024795  -0.798382
     5  C    4.561466  -5.653676   0.236753  -0.014993  -0.122504   0.172368
     6  C   -5.577895   2.702596  -0.030867   0.266513  -0.070538  -0.080935
     7  C   17.794729  -6.059137  -0.204511  -0.018164   0.216700   0.059863
     8  C   -6.059137  12.986597   0.143513  -0.004879   0.035107  -0.075429
     9  H   -0.204511   0.143513   3.002617   0.153554  -0.358278  -0.094552
    10  H   -0.018164  -0.004879   0.153554   2.685950  -0.769732  -0.002228
    11  H    0.216700   0.035107  -0.358278  -0.769732   2.610567   0.010273
    12  H    0.059863  -0.075429  -0.094552  -0.002228   0.010273   2.890793
    13  H   -0.020726   0.106193   0.051460   0.004511  -0.014590  -0.763005
    14  H   -0.432184   1.087730  -0.004801  -0.005934   0.008217   0.053233
    15  C    1.673468  -1.239501   0.078246   0.006251  -0.158769   0.050829
    16  C   -0.482450   0.526514  -0.053037  -0.007902   0.081917   0.001714
    17  H   -3.425005   1.193171   0.003776  -0.116752   0.002398   0.000655
    18  H    0.495056  -1.424765  -0.013935   0.028712  -0.004407  -0.000178
    19  H   -1.007414   0.296107   0.056521  -0.047016   0.013226  -0.015203
    20  H   -0.381853   0.305082  -0.025703  -0.005589   0.044044  -0.003385
    21  H    0.079995  -0.013353   0.005654  -0.006251   0.010347   0.008186
    22  H   -0.143013  -0.035566   0.012119   0.015186  -0.037908   0.000032
    23  H    0.164924  -0.406138  -0.000752  -0.003790   0.005268   0.000564
    24  H   -0.156378   0.092139  -0.003455  -0.000155   0.026333   0.001314
    25  H   -0.068335   0.120370   0.000815   0.004468  -0.015543  -0.004246
    26  H    0.015527   0.025868  -0.748378  -0.406385   0.196454   0.020257
              13         14         15         16         17         18
     1  C    0.067862   0.052930  -0.216958   0.271249  -0.045050  -0.116630
     2  C   -0.053885   0.161759  -0.224753  -0.319359   0.645570  -0.009895
     3  C    0.507360   1.215551  -0.514466   0.091910   0.150878   0.303409
     4  C   -0.797027  -0.333835  -0.113027   0.171439  -0.051923   0.035534
     5  C   -0.021215  -3.851398   1.726227  -0.773071  -0.598776   0.336416
     6  C   -0.000730   0.443700  -2.882824  -2.037738   0.581120  -0.205057
     7  C   -0.020726  -0.432184   1.673468  -0.482450  -3.425005   0.495056
     8  C    0.106193   1.087730  -1.239501   0.526514   1.193171  -1.424765
     9  H    0.051460  -0.004801   0.078246  -0.053037   0.003776  -0.013935
    10  H    0.004511  -0.005934   0.006251  -0.007902  -0.116752   0.028712
    11  H   -0.014590   0.008217  -0.158769   0.081917   0.002398  -0.004407
    12  H   -0.763005   0.053233   0.050829   0.001714   0.000655  -0.000178
    13  H    2.854032  -0.092094  -0.007108   0.001893  -0.001825   0.007133
    14  H   -0.092094   4.046572  -0.333290   0.048913   0.003770  -0.117358
    15  C   -0.007108  -0.333290   7.451755  -0.733759  -0.308318   0.228948
    16  C    0.001893   0.048913  -0.733759   7.668461   0.120255  -0.005691
    17  H   -0.001825   0.003770  -0.308318   0.120255   3.791643  -0.119005
    18  H    0.007133  -0.117358   0.228948  -0.005691  -0.119005   3.461110
    19  H    0.014133   0.140064  -0.199721   0.035261   0.175164  -1.156882
    20  H    0.000408  -0.009013  -0.153979   0.260866  -0.007527   0.047793
    21  H   -0.016772   0.042473  -0.041783  -0.348778   0.008340  -0.004636
    22  H    0.003655  -0.002699  -0.034528   0.026456   0.001780  -0.007732
    23  H    0.000297  -0.051729  -0.162069  -0.606284  -0.065246  -0.076845
    24  H   -0.003507   0.031155   0.064564   0.067121  -0.016152   0.006521
    25  H    0.010953  -0.047593   0.193529   0.246237   0.021796   0.019008
    26  H   -0.001697   0.009974   0.021492   0.028846   0.005015   0.048461
              19         20         21         22         23         24
     1  C    0.292341  -0.045435   0.048158  -0.056593   0.054846  -0.057063
     2  C    0.051296  -0.015076  -0.037451   0.082536  -0.012635   0.082611
     3  C    0.187197  -0.031790   0.224941   0.011951  -0.086984  -0.027917
     4  C   -0.008724   0.129849  -0.101842  -0.034007   0.025025   0.015303
     5  C   -0.945501  -0.690025  -0.111461   0.101834   0.184410  -0.024372
     6  C    0.446336   0.689571   0.226067   0.157364   1.059629   0.056405
     7  C   -1.007414  -0.381853   0.079995  -0.143013   0.164924  -0.156378
     8  C    0.296107   0.305082  -0.013353  -0.035566  -0.406138   0.092139
     9  H    0.056521  -0.025703   0.005654   0.012119  -0.000752  -0.003455
    10  H   -0.047016  -0.005589  -0.006251   0.015186  -0.003790  -0.000155
    11  H    0.013226   0.044044   0.010347  -0.037908   0.005268   0.026333
    12  H   -0.015203  -0.003385   0.008186   0.000032   0.000564   0.001314
    13  H    0.014133   0.000408  -0.016772   0.003655   0.000297  -0.003507
    14  H    0.140064  -0.009013   0.042473  -0.002699  -0.051729   0.031155
    15  C   -0.199721  -0.153979  -0.041783  -0.034528  -0.162069   0.064564
    16  C    0.035261   0.260866  -0.348778   0.026456  -0.606284   0.067121
    17  H    0.175164  -0.007527   0.008340   0.001780  -0.065246  -0.016152
    18  H   -1.156882   0.047793  -0.004636  -0.007732  -0.076845   0.006521
    19  H    3.500170  -0.019738  -0.000664   0.001613  -0.000918   0.009220
    20  H   -0.019738   2.446429  -0.666902  -0.551045  -0.076748   0.033358
    21  H   -0.000664  -0.666902   2.354210  -0.321097   0.034612   0.013221
    22  H    0.001613  -0.551045  -0.321097   2.021316   0.036920  -0.074284
    23  H   -0.000918  -0.076748   0.034612   0.036920   2.315774  -0.457525
    24  H    0.009220   0.033358   0.013221  -0.074284  -0.457525   2.157307
    25  H    0.006392   0.072391  -0.101678   0.011041  -0.492622  -0.555265
    26  H   -0.101750   0.027311   0.002717  -0.005684   0.003797  -0.002226
              25         26
     1  C    0.023638  -0.016619
     2  C   -0.054202   0.157122
     3  C    0.164965  -0.288964
     4  C   -0.026496   0.025368
     5  C   -0.304219  -0.102272
     6  C   -0.138453  -0.087650
     7  C   -0.068335   0.015527
     8  C    0.120370   0.025868
     9  H    0.000815  -0.748378
    10  H    0.004468  -0.406385
    11  H   -0.015543   0.196454
    12  H   -0.004246   0.020257
    13  H    0.010953  -0.001697
    14  H   -0.047593   0.009974
    15  C    0.193529   0.021492
    16  C    0.246237   0.028846
    17  H    0.021796   0.005015
    18  H    0.019008   0.048461
    19  H    0.006392  -0.101750
    20  H    0.072391   0.027311
    21  H   -0.101678   0.002717
    22  H    0.011041  -0.005684
    23  H   -0.492622   0.003797
    24  H   -0.555265  -0.002226
    25  H    2.193996  -0.000617
    26  H   -0.000617   2.576564
 Mulliken charges:
               1
     1  C    0.893964
     2  C    1.004823
     3  C   -0.779045
     4  C    1.709250
     5  C    2.282774
     6  C   -2.631760
     7  C    1.766148
     8  C    1.079939
     9  H   -0.585478
    10  H   -0.501443
    11  H   -0.447218
    12  H   -0.828232
    13  H   -0.835710
    14  H   -1.064116
    15  C    1.829544
    16  C    1.719016
    17  H   -0.949753
    18  H   -0.755085
    19  H   -0.721514
    20  H   -0.373294
    21  H   -0.286256
    22  H   -0.179647
    23  H   -0.385778
    24  H   -0.278271
    25  H   -0.280329
    26  H   -0.402530
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.094043
     2  C    0.056162
     3  C   -0.779045
     4  C    0.045308
     5  C    1.218658
     6  C   -2.631760
     7  C    0.816395
     8  C   -0.396660
    15  C    0.990348
    16  C    0.774637
 Electronic spatial extent (au):  <R**2>=           1339.4382
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.4424    Y=              0.5867    Z=              0.1220  Tot=              0.7449
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -65.0468   YY=            -64.3587   ZZ=            -65.1622
   XY=              1.0680   XZ=              1.2070   YZ=              0.4913
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.1909   YY=              0.4972   ZZ=             -0.3063
   XY=              1.0680   XZ=              1.2070   YZ=              0.4913
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.1053  YYY=              0.0439  ZZZ=              0.8053  XYY=             -0.1580
  XXY=              3.4529  XXZ=              4.3371  XZZ=             -2.7348  YZZ=              2.0704
  YYZ=             -2.8898  XYZ=             -1.1059
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -944.5207 YYYY=           -553.8532 ZZZZ=           -427.8782 XXXY=             -2.8552
 XXXZ=             11.7886 YYYX=              5.4801 YYYZ=              5.7416 ZZZX=              7.8164
 ZZZY=              2.5919 XXYY=           -249.9372 XXZZ=           -226.9017 YYZZ=           -168.3572
 XXYZ=             -4.2741 YYXZ=             -3.8596 ZZXY=              1.9700
 N-N= 5.709563421127D+02 E-N=-2.046034231278D+03  KE= 3.883456759046D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul  9 20:56:57 2021, MaxMem= 17179869184 cpu:               3.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.68839324D-01 2.26576814D-01 4.73897661D-02
 Polarizability= 1.22600674D+02-6.80291573D+00 1.14486480D+02
                 7.23190235D-01 1.13236103D+00 9.98872265D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0910   -0.0911       -4.1456   -4.1461
 2      0.0910    0.0911       -0.5519   -0.5500       -4.5219   -4.5177
 3      4.1456    4.1461       12.5794   12.5773        0.5542    0.5500
 4      0.5519    0.5500       -0.0000    0.0000        4.1452    4.1461
 5     -8.0574   -8.0596       -4.1452   -4.1461       -0.0889   -0.0911
 6     -0.5542   -0.5500        0.0889    0.0911       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.2732    0.2732      -12.4383  -12.4383
 2      1.6499    1.6499        0.0000    0.0000      -12.4383  -12.4383
 3      1.6499    1.6499        0.2732    0.2732        0.0000    0.0000
 4      0.2732    0.2732       -1.6499   -1.6499      -13.5532  -13.5532
 5     12.4383   12.4383       37.7320   37.7320        1.6499    1.6499
 6    -24.1789  -24.1789      -12.4383  -12.4383       -0.2732   -0.2732
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1212    0.0000        0.3865    0.3642       16.7217   16.5845
 2     -0.4257   -0.3642        2.1971    2.1999       18.0791   18.0709
 3    -16.8666  -16.5845      -50.3107  -50.3094       -2.4386   -2.1999
 4     -2.2025   -2.1999        0.0174    0.0000      -16.5180  -16.5845
 5     32.2501   32.2385       16.6243   16.5845        0.3690    0.3642
 6      2.4244    2.1999       -0.2652   -0.3642        0.1167    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1703    0.0000       14.0876   14.0616       -4.1557   -4.0915
 2    -14.2930  -14.0616      -17.6707  -17.7098        3.4039    3.6804
 3      4.1408    4.0915      -21.5445  -21.7756       17.8846   17.7098
 4     17.6686   17.7098        0.0125    0.0000        4.1238    4.0915
 5     18.6529   18.0952       -3.6864   -4.0915       14.1908   14.0616
 6    -17.5406  -17.7098      -14.1533  -14.0616        0.0936    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     53.5498   53.2444       77.5934   77.5238        9.5764    9.4232
 2     83.1952   82.9786       73.4772   73.3476        9.4765    9.4232
 3     83.2176   82.9786       77.7005   77.5238       11.4092   11.2844
 4      3.9815    4.1762      -29.8075  -29.7341        5.6621    5.7230
 5      1.9452    1.8611      -32.2952  -32.6863       29.8188   29.7341
 6     27.2669   26.9634       -1.6488   -1.8611       -3.8272   -4.1762
 Full mass-weighted force constant matrix:
 Low frequencies ---   -9.2943   -3.9471   -0.0006   -0.0005   -0.0004    4.7830
 Low frequencies ---  106.9149  166.5864  191.0365
 Diagonal vibrational polarizability:
        1.9906344       1.4717352       2.5217771
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --    106.9137               166.5857               191.0343
 Red. masses --      2.6288                 1.8473                 1.3437
 Frc consts  --      0.0177                 0.0302                 0.0289
 IR Inten    --      0.0287                 0.1411                 0.0704
 RamAct Fr= 1--      3.6441                 1.2025                 0.6614
  Dep-P Fr= 1--      0.7238                 0.6470                 0.7337
  Dep-U Fr= 1--      0.8398                 0.7857                 0.8464
 Alpha2 Fr= 1--      0.0016                 0.0022                 0.0002
 Beta2  Fr= 1--      0.5101                 0.1575                 0.0933
 AlphaG Fr= 1--      0.0013                -0.0072                 0.0009
 Gamma2 Fr= 1--      0.9867                -0.3354                -0.1272
 Delta2 Fr= 1--     -0.2828                -0.1054                 0.0329
 Raman1 Fr= 1--      14.576                  4.810                  2.646
 ROA1   Fr= 1--      85.673                -35.569                -11.157
 CID1   Fr= 1--       5.877                 -7.395                 -4.217
 Raman2 Fr= 1--       6.121                  1.889                  1.120
 ROA2   Fr= 1--      25.943                 -7.206                 -3.316
 CID2   Fr= 1--       4.239                 -3.814                 -2.962
 Raman3 Fr= 1--      12.241                  3.779                  2.239
 ROA3   Fr= 1--      85.673                -35.569                -11.157
 CID3   Fr= 1--       6.999                 -9.412                 -4.983
 RC180  Fr= 1--       0.680                  0.571                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.08  -0.17    -0.03  -0.06   0.12     0.01   0.02  -0.03
     2   6     0.03  -0.02   0.02    -0.02   0.06  -0.05     0.01   0.01  -0.01
     3   6    -0.01   0.03  -0.01    -0.03  -0.01  -0.00     0.01   0.00   0.02
     4   6    -0.12  -0.07   0.24    -0.10  -0.06   0.02     0.05   0.04  -0.01
     5   6     0.01   0.05  -0.05    -0.00   0.05  -0.05    -0.01  -0.03   0.03
     6   6     0.02  -0.02  -0.02     0.03   0.02  -0.01    -0.02  -0.01   0.01
     7   6     0.00  -0.00   0.05    -0.02   0.03  -0.03     0.01  -0.01   0.00
     8   6    -0.04   0.07   0.02    -0.01   0.05  -0.02     0.01  -0.04   0.00
     9   1     0.22   0.19  -0.29    -0.21  -0.17   0.23     0.04   0.06  -0.05
    10   1    -0.02   0.01   0.11     0.04   0.03  -0.20    -0.00   0.01  -0.01
    11   1     0.12  -0.14   0.02    -0.06   0.23  -0.04     0.02   0.01  -0.01
    12   1    -0.17  -0.09   0.33    -0.14  -0.15   0.10     0.07   0.09  -0.05
    13   1    -0.18  -0.12   0.36    -0.12  -0.02  -0.05     0.08   0.02   0.01
    14   1     0.01   0.07  -0.08    -0.01   0.06  -0.06     0.00  -0.05   0.05
    15   6     0.06  -0.10  -0.06     0.14   0.00  -0.04    -0.03  -0.08  -0.02
    16   6     0.02  -0.01  -0.01     0.03  -0.06   0.04    -0.04   0.09   0.01
    17   1    -0.00  -0.02   0.11    -0.03   0.01  -0.02     0.02  -0.00  -0.02
    18   1    -0.07   0.07   0.05    -0.00   0.05  -0.03     0.01  -0.04   0.01
    19   1    -0.08   0.11   0.00    -0.01   0.07  -0.00     0.01  -0.06  -0.01
    20   1     0.04  -0.07  -0.04     0.05   0.30   0.05    -0.15   0.19   0.15
    21   1     0.13  -0.11  -0.15     0.50  -0.04  -0.12     0.33  -0.13  -0.19
    22   1     0.02  -0.20  -0.04    -0.05  -0.29  -0.06    -0.27  -0.41  -0.08
    23   1    -0.01   0.04   0.02     0.02  -0.16   0.00     0.10  -0.15  -0.12
    24   1     0.03  -0.06   0.03     0.03  -0.00   0.01    -0.02   0.44  -0.14
    25   1     0.03  -0.01  -0.07     0.06  -0.07   0.15    -0.24   0.10   0.32
    26   1    -0.17   0.09  -0.32     0.16  -0.09   0.25    -0.03   0.01  -0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    210.9931               231.2244               297.7815
 Red. masses --      1.8294                 1.2403                 1.8681
 Frc consts  --      0.0480                 0.0391                 0.0976
 IR Inten    --      0.0066                 0.0742                 0.0695
 RamAct Fr= 1--      0.2970                 0.2974                 0.3790
  Dep-P Fr= 1--      0.5615                 0.5677                 0.5134
  Dep-U Fr= 1--      0.7192                 0.7242                 0.6784
 Alpha2 Fr= 1--      0.0011                 0.0010                 0.0018
 Beta2  Fr= 1--      0.0356                 0.0359                 0.0429
 AlphaG Fr= 1--      0.0006                 0.0114                -0.0095
 Gamma2 Fr= 1--     -0.2835                 0.1324                 0.0361
 Delta2 Fr= 1--     -0.2499                -0.1094                 0.1885
 Raman1 Fr= 1--       1.188                  1.190                  1.516
 ROA1   Fr= 1--     -35.210                  9.207                  9.498
 CID1   Fr= 1--     -29.637                  7.739                  6.265
 Raman2 Fr= 1--       0.427                  0.431                  0.514
 ROA2   Fr= 1--      -4.803                  4.052                 -0.641
 CID2   Fr= 1--     -11.243                  9.406                 -1.247
 Raman3 Fr= 1--       0.854                  0.862                  1.029
 ROA3   Fr= 1--     -35.210                  9.207                  9.498
 CID3   Fr= 1--     -41.208                 10.685                  9.235
 RC180  Fr= 1--       0.438                  0.448                  0.357
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00   0.05    -0.03  -0.00   0.03    -0.05  -0.01  -0.02
     2   6    -0.04   0.03  -0.03    -0.04  -0.03   0.03    -0.07  -0.12   0.13
     3   6    -0.01   0.00   0.02    -0.00   0.01  -0.02    -0.01  -0.03   0.00
     4   6     0.04   0.04   0.05    -0.00   0.00   0.03     0.02  -0.00  -0.01
     5   6    -0.00  -0.04  -0.02     0.01   0.00  -0.05    -0.00  -0.01  -0.02
     6   6     0.00  -0.01  -0.02     0.02  -0.02  -0.03    -0.01   0.04  -0.04
     7   6     0.01  -0.01  -0.05    -0.01  -0.02  -0.02     0.01   0.02  -0.06
     8   6     0.02  -0.05  -0.04     0.01   0.01  -0.02     0.07  -0.01  -0.04
     9   1    -0.10  -0.02   0.09    -0.04  -0.02   0.03     0.10   0.06  -0.13
    10   1    -0.03   0.02  -0.05    -0.04  -0.02   0.10    -0.05  -0.08   0.44
    11   1    -0.08   0.06  -0.03    -0.08  -0.09   0.02    -0.15  -0.40   0.08
    12   1     0.02   0.09   0.08    -0.03   0.01   0.09     0.02   0.03  -0.00
    13   1     0.10   0.02   0.05     0.02   0.00   0.02     0.06  -0.01  -0.02
    14   1     0.03  -0.06   0.00     0.03   0.02  -0.07    -0.02  -0.02  -0.02
    15   6     0.08  -0.10  -0.07     0.07   0.01  -0.02     0.06   0.13  -0.01
    16   6    -0.07   0.14   0.09    -0.02   0.02   0.04    -0.03  -0.01   0.05
    17   1    -0.01  -0.03  -0.09    -0.03  -0.04  -0.02     0.02   0.05  -0.12
    18   1     0.02  -0.06  -0.05     0.00   0.03  -0.02     0.08   0.01  -0.06
    19   1     0.03  -0.07  -0.05     0.00   0.03  -0.01     0.10  -0.05  -0.04
    20   1     0.14  -0.23  -0.16     0.18  -0.24  -0.20    -0.02   0.40   0.06
    21   1    -0.03  -0.08  -0.13    -0.24   0.05   0.08     0.37   0.09   0.00
    22   1     0.19  -0.09   0.04     0.29   0.26   0.06    -0.10  -0.05  -0.07
    23   1    -0.25   0.50   0.28     0.10  -0.31  -0.12    -0.13   0.06   0.10
    24   1     0.07  -0.10   0.37     0.02   0.43  -0.13     0.01  -0.11   0.15
    25   1    -0.11   0.16  -0.28    -0.21   0.02   0.45     0.03  -0.01  -0.02
    26   1     0.03  -0.01   0.09    -0.03   0.03   0.05    -0.23   0.06  -0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    359.1272               385.1849               394.2225
 Red. masses --      2.2799                 2.4473                 2.3202
 Frc consts  --      0.1732                 0.2139                 0.2125
 IR Inten    --      1.0175                 0.1708                 0.8245
 RamAct Fr= 1--      2.8996                 1.7518                 0.8193
  Dep-P Fr= 1--      0.4641                 0.5392                 0.6822
  Dep-U Fr= 1--      0.6339                 0.7006                 0.8111
 Alpha2 Fr= 1--      0.0168                 0.0071                 0.0010
 Beta2  Fr= 1--      0.3064                 0.2045                 0.1108
 AlphaG Fr= 1--      0.0153                 0.0043                 0.0055
 Gamma2 Fr= 1--      1.2092                -0.3273                -0.5371
 Delta2 Fr= 1--      0.4530                -0.0502                -0.2834
 Raman1 Fr= 1--      11.598                  7.007                  3.277
 ROA1   Fr= 1--     130.578                -33.031                -60.628
 CID1   Fr= 1--      11.258                 -4.714                -18.499
 Raman2 Fr= 1--       3.676                  2.455                  1.329
 ROA2   Fr= 1--      25.397                 -7.454                -10.622
 CID2   Fr= 1--       6.908                 -3.037                 -7.992
 Raman3 Fr= 1--       7.353                  4.909                  2.658
 ROA3   Fr= 1--     130.578                -33.031                -60.628
 CID3   Fr= 1--      17.759                 -6.729                -22.808
 RC180  Fr= 1--       0.268                  0.401                  0.622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.09   0.00     0.08   0.04   0.04     0.03   0.09   0.04
     2   6     0.04  -0.06  -0.03     0.06   0.01   0.01    -0.07  -0.02   0.01
     3   6     0.04  -0.03  -0.10     0.03   0.06   0.02     0.10   0.09  -0.03
     4   6     0.13   0.04   0.10    -0.03   0.01  -0.01    -0.11  -0.07  -0.05
     5   6     0.02   0.03  -0.13     0.03   0.05  -0.01     0.11   0.01  -0.04
     6   6     0.01  -0.04  -0.05    -0.03   0.04  -0.04     0.09  -0.09  -0.01
     7   6    -0.01  -0.05   0.04     0.06   0.06  -0.07    -0.01  -0.10  -0.01
     8   6    -0.09   0.08   0.01     0.05   0.01  -0.06    -0.04  -0.04  -0.04
     9   1    -0.08  -0.21   0.06     0.05   0.01   0.06    -0.01   0.08   0.08
    10   1     0.04  -0.08  -0.13     0.06   0.02   0.11    -0.16   0.01   0.05
    11   1     0.09   0.04  -0.02    -0.01  -0.09  -0.01    -0.10  -0.07  -0.00
    12   1     0.03   0.23   0.29    -0.02  -0.08  -0.05    -0.10  -0.37  -0.05
    13   1     0.37  -0.05   0.13    -0.13   0.04  -0.02    -0.37   0.04  -0.11
    14   1     0.01   0.09  -0.20     0.09   0.03   0.00     0.21  -0.01  -0.04
    15   6    -0.08   0.07   0.01    -0.15  -0.06  -0.07    -0.06   0.02   0.07
    16   6    -0.05   0.01   0.05    -0.07  -0.14   0.17     0.04   0.09   0.03
    17   1    -0.01  -0.07   0.16     0.11   0.12  -0.11    -0.08  -0.19   0.03
    18   1    -0.14   0.06   0.07     0.01  -0.03  -0.02    -0.06  -0.12  -0.00
    19   1    -0.17   0.18  -0.01     0.04  -0.02  -0.13    -0.11   0.03  -0.06
    20   1    -0.16   0.23   0.15    -0.17  -0.21   0.05    -0.14   0.13   0.24
    21   1     0.02   0.06   0.14    -0.27  -0.04  -0.21    -0.00   0.01   0.18
    22   1    -0.23   0.10  -0.15    -0.18  -0.07  -0.10    -0.22   0.08  -0.12
    23   1    -0.16   0.06   0.10    -0.32  -0.30   0.16     0.02   0.22   0.09
    24   1     0.05   0.01   0.16     0.02  -0.17   0.28     0.17   0.16   0.13
    25   1    -0.10   0.01   0.03     0.08  -0.16   0.35    -0.15   0.11  -0.06
    26   1     0.15  -0.07   0.12     0.12   0.05   0.07     0.04   0.17   0.11
                     10                     11                     12
                      A                      A                      A
 Frequencies --    420.0343               456.1624               480.2945
 Red. masses --      2.1714                 2.9831                 3.2389
 Frc consts  --      0.2257                 0.3657                 0.4402
 IR Inten    --      0.7982                 0.6548                 0.2993
 RamAct Fr= 1--      1.0837                 1.3392                 7.3471
  Dep-P Fr= 1--      0.4554                 0.4767                 0.3584
  Dep-U Fr= 1--      0.6258                 0.6457                 0.5277
 Alpha2 Fr= 1--      0.0065                 0.0073                 0.0628
 Beta2  Fr= 1--      0.1130                 0.1441                 0.6462
 AlphaG Fr= 1--     -0.0208                -0.0064                -0.0470
 Gamma2 Fr= 1--     -0.2494                -0.6642                 0.6449
 Delta2 Fr= 1--      0.0532                -0.2692                 0.4663
 Raman1 Fr= 1--       4.335                  5.357                 29.389
 ROA1   Fr= 1--     -22.243                -72.375                 76.835
 CID1   Fr= 1--      -5.131                -13.511                  2.614
 Raman2 Fr= 1--       1.356                  1.729                  7.754
 ROA2   Fr= 1--      -6.412                -13.787                 11.749
 CID2   Fr= 1--      -4.727                 -7.973                  1.515
 Raman3 Fr= 1--       2.713                  3.459                 15.508
 ROA3   Fr= 1--     -22.243                -72.375                 76.835
 CID3   Fr= 1--      -8.199                -20.926                  4.954
 RC180  Fr= 1--       0.252                  0.291                  0.055
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.07    -0.15  -0.04  -0.05     0.04   0.04   0.01
     2   6    -0.06   0.05  -0.06    -0.06   0.04   0.01     0.10   0.02   0.05
     3   6     0.01  -0.06   0.04    -0.08  -0.04  -0.11    -0.12   0.14  -0.11
     4   6     0.02  -0.06  -0.03    -0.01   0.03   0.01    -0.14   0.16   0.02
     5   6     0.04   0.01  -0.02    -0.04  -0.02  -0.07    -0.11  -0.08  -0.07
     6   6    -0.02  -0.06  -0.03     0.14   0.04   0.08    -0.03  -0.11  -0.01
     7   6    -0.07  -0.05   0.03     0.03   0.05  -0.04     0.12  -0.10   0.04
     8   6     0.18   0.10   0.09     0.07   0.02  -0.05     0.13  -0.06  -0.00
     9   1     0.03   0.17  -0.10    -0.14  -0.10  -0.07    -0.07  -0.25   0.04
    10   1    -0.10   0.03  -0.29     0.03   0.04   0.09    -0.01   0.03  -0.02
    11   1     0.06   0.24  -0.02    -0.11  -0.03  -0.01     0.14   0.06   0.06
    12   1     0.05  -0.09  -0.09    -0.09   0.15   0.17    -0.14   0.27   0.02
    13   1    -0.02  -0.03  -0.07     0.18  -0.02  -0.01    -0.12   0.08   0.16
    14   1     0.05   0.10  -0.14    -0.18  -0.02  -0.03    -0.02  -0.10  -0.06
    15   6    -0.02   0.00   0.00    -0.09  -0.09   0.10     0.02   0.01   0.05
    16   6    -0.07  -0.03   0.06     0.21   0.03   0.08    -0.06  -0.04  -0.03
    17   1    -0.11  -0.10  -0.00    -0.04  -0.02  -0.10     0.12  -0.09  -0.02
    18   1     0.37   0.23  -0.14     0.12   0.16  -0.11     0.18   0.26  -0.07
    19   1     0.32   0.14   0.40     0.17  -0.06   0.05     0.33  -0.24   0.14
    20   1    -0.03   0.06   0.00    -0.16  -0.27   0.35     0.01   0.17   0.01
    21   1    -0.01  -0.00   0.10    -0.24  -0.06  -0.07     0.11  -0.01   0.25
    22   1    -0.03   0.07  -0.04    -0.22  -0.09  -0.03     0.00   0.09  -0.01
    23   1    -0.12   0.01   0.09     0.24   0.02   0.07     0.01   0.01  -0.03
    24   1     0.02   0.01   0.14     0.18   0.01   0.05    -0.08  -0.04  -0.05
    25   1    -0.14  -0.02   0.07     0.25   0.03   0.08    -0.10  -0.03  -0.09
    26   1    -0.12  -0.03  -0.17    -0.14  -0.03  -0.03     0.21   0.09   0.18
                     13                     14                     15
                      A                      A                      A
 Frequencies --    534.0723               616.0103               649.6223
 Red. masses --      2.3221                 3.4550                 2.7700
 Frc consts  --      0.3902                 0.7725                 0.6887
 IR Inten    --      3.2799                 2.6774                 0.7256
 RamAct Fr= 1--      1.4191                 1.5678                26.8328
  Dep-P Fr= 1--      0.3730                 0.6983                 0.0092
  Dep-U Fr= 1--      0.5433                 0.8224                 0.0181
 Alpha2 Fr= 1--      0.0115                 0.0014                 0.5837
 Beta2  Fr= 1--      0.1285                 0.2149                 0.0812
 AlphaG Fr= 1--     -0.0348                -0.0162                 0.2831
 Gamma2 Fr= 1--      0.6403                -1.2863                -0.4640
 Delta2 Fr= 1--      0.4098                -0.6841                -0.1767
 Raman1 Fr= 1--       5.676                  6.271                107.331
 ROA1   Fr= 1--      74.585               -145.374                -50.204
 CID1   Fr= 1--      13.140                -23.180                 -0.468
 Raman2 Fr= 1--       1.542                  2.579                  0.974
 ROA2   Fr= 1--      12.090                -25.397                 -9.723
 CID2   Fr= 1--       7.840                 -9.849                 -9.984
 Raman3 Fr= 1--       3.084                  5.157                  1.948
 ROA3   Fr= 1--      74.585               -145.374                -50.204
 CID3   Fr= 1--      24.184                -28.187                -25.775
 RC180  Fr= 1--       0.087                  0.645                 -0.964
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01   0.03     0.06  -0.06   0.02    -0.05   0.03   0.03
     2   6     0.06   0.10   0.07     0.05  -0.15  -0.13     0.01   0.14   0.09
     3   6    -0.12  -0.05   0.16    -0.10   0.02   0.21     0.08  -0.03  -0.09
     4   6    -0.02   0.03  -0.03    -0.04   0.11  -0.01     0.06  -0.08  -0.01
     5   6     0.01  -0.04  -0.07     0.01   0.13  -0.02     0.04   0.02  -0.11
     6   6     0.07  -0.06  -0.09    -0.02  -0.06   0.05    -0.06  -0.03   0.06
     7   6     0.10  -0.03   0.06    -0.01  -0.04  -0.12     0.08   0.09  -0.03
     8   6    -0.04  -0.03   0.00    -0.01   0.11  -0.13     0.02  -0.01  -0.04
     9   1     0.22   0.18  -0.16     0.17   0.13  -0.02     0.09   0.08  -0.07
    10   1     0.08   0.07  -0.10     0.05  -0.13   0.00     0.09   0.12   0.08
    11   1     0.07   0.26   0.10    -0.04  -0.25  -0.16    -0.07   0.15   0.08
    12   1    -0.06  -0.01   0.04    -0.09   0.08   0.08    -0.11  -0.25   0.33
    13   1     0.11   0.15  -0.32     0.11   0.25  -0.33     0.17   0.01  -0.25
    14   1     0.10  -0.03  -0.11     0.16   0.13  -0.05     0.03   0.06  -0.18
    15   6    -0.01   0.04  -0.08     0.03  -0.08   0.17     0.02  -0.08   0.17
    16   6     0.04  -0.00   0.01    -0.02   0.00  -0.01    -0.16  -0.04  -0.06
    17   1     0.04  -0.10   0.07     0.07   0.03   0.02     0.08   0.13  -0.20
    18   1    -0.21  -0.06   0.21     0.07   0.06  -0.22    -0.10  -0.01   0.10
    19   1    -0.16  -0.02  -0.21    -0.00   0.19  -0.00    -0.05  -0.04  -0.22
    20   1    -0.06   0.09   0.00     0.03  -0.07   0.19     0.05  -0.03   0.08
    21   1    -0.04   0.03   0.07     0.04  -0.08   0.20     0.06  -0.09   0.20
    22   1    -0.08   0.17  -0.22     0.03  -0.07   0.17     0.07  -0.10   0.24
    23   1    -0.07  -0.03   0.02     0.12   0.09  -0.01    -0.05  -0.01  -0.07
    24   1     0.12   0.01   0.09    -0.05   0.04  -0.07    -0.24  -0.06  -0.14
    25   1     0.02  -0.00   0.05    -0.12   0.02  -0.10    -0.16  -0.04  -0.12
    26   1    -0.32  -0.15  -0.28    -0.04  -0.23  -0.20    -0.17   0.06  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    734.4905               777.6637               799.5220
 Red. masses --      1.4072                 2.2336                 1.5741
 Frc consts  --      0.4473                 0.7959                 0.5928
 IR Inten    --      0.4474                 2.1128                 0.3752
 RamAct Fr= 1--      4.4025                 6.2521                 1.8555
  Dep-P Fr= 1--      0.2689                 0.1102                 0.7206
  Dep-U Fr= 1--      0.4238                 0.1986                 0.8376
 Alpha2 Fr= 1--      0.0495                 0.1067                 0.0009
 Beta2  Fr= 1--      0.3110                 0.2069                 0.2590
 AlphaG Fr= 1--     -0.4528                 0.5184                -0.0563
 Gamma2 Fr= 1--     -0.4380                 0.4740                -0.5156
 Delta2 Fr= 1--      0.5272                 0.8358                 1.6113
 Raman1 Fr= 1--      17.610                 25.008                  7.422
 ROA1   Fr= 1--     -25.176                 72.252                  2.066
 CID1   Fr= 1--      -1.430                  2.889                  0.278
 Raman2 Fr= 1--       3.732                  2.483                  3.108
 ROA2   Fr= 1--     -14.729                  4.690                -25.264
 CID2   Fr= 1--      -3.947                  1.889                 -8.128
 Raman3 Fr= 1--       7.464                  4.966                  6.217
 ROA3   Fr= 1--     -25.176                 72.252                  2.066
 CID3   Fr= 1--      -3.373                 14.550                  0.332
 RC180  Fr= 1--      -0.152                 -0.603                  0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.01    -0.13  -0.11  -0.06     0.01   0.02  -0.08
     2   6     0.00  -0.06  -0.02    -0.01  -0.06  -0.03     0.03   0.07  -0.05
     3   6     0.03   0.06  -0.05    -0.02   0.06  -0.03    -0.04  -0.03   0.03
     4   6    -0.02   0.04   0.00    -0.06   0.08  -0.00    -0.01  -0.00   0.00
     5   6     0.03   0.01   0.02     0.16   0.07   0.02     0.02  -0.02   0.02
     6   6    -0.03   0.06   0.03    -0.00   0.01   0.00     0.03  -0.07  -0.03
     7   6    -0.03  -0.04   0.03     0.03   0.05  -0.00    -0.05   0.10  -0.02
     8   6     0.02  -0.07   0.04     0.09  -0.06   0.11    -0.01  -0.03   0.11
     9   1     0.08  -0.00  -0.07    -0.13  -0.17  -0.07    -0.28  -0.11   0.13
    10   1    -0.01  -0.08  -0.15     0.14  -0.11  -0.15     0.03   0.15   0.45
    11   1     0.06   0.07   0.00     0.03   0.08  -0.01     0.07  -0.42  -0.09
    12   1    -0.31  -0.22   0.56     0.04   0.18  -0.22    -0.10  -0.04   0.16
    13   1     0.18   0.25  -0.49    -0.24  -0.01   0.27     0.15   0.11  -0.27
    14   1     0.02  -0.04   0.09     0.25   0.17  -0.13     0.03   0.02  -0.04
    15   6    -0.02   0.04  -0.04     0.00  -0.01   0.03     0.01  -0.01  -0.02
    16   6     0.01   0.01   0.01    -0.03  -0.00  -0.02    -0.00  -0.02  -0.01
    17   1     0.01   0.01   0.03     0.08   0.13  -0.14    -0.09   0.06  -0.09
    18   1     0.08  -0.06  -0.03    -0.07  -0.43   0.32     0.04  -0.11   0.05
    19   1     0.06  -0.08   0.11    -0.18   0.08  -0.21    -0.02  -0.01   0.11
    20   1     0.01  -0.02  -0.10     0.01  -0.02   0.02    -0.02   0.05   0.03
    21   1    -0.00   0.04  -0.17     0.01  -0.01   0.01     0.01  -0.02   0.13
    22   1     0.03  -0.06   0.05     0.02  -0.03   0.05    -0.03   0.10  -0.11
    23   1    -0.00  -0.02  -0.00    -0.08  -0.00  -0.00    -0.03   0.04   0.02
    24   1    -0.03  -0.03  -0.00     0.01   0.02   0.01     0.10   0.07   0.05
    25   1     0.09   0.00   0.03    -0.07  -0.00   0.00    -0.15  -0.00  -0.02
    26   1    -0.07  -0.01  -0.05    -0.13  -0.06  -0.02     0.35  -0.13   0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    833.8524               864.3223               892.7482
 Red. masses --      2.2210                 2.3719                 2.1851
 Frc consts  --      0.9099                 1.0440                 1.0261
 IR Inten    --      0.3716                 5.0505                 0.7622
 RamAct Fr= 1--      2.9502                12.7705                 3.9040
  Dep-P Fr= 1--      0.3730                 0.4878                 0.3126
  Dep-U Fr= 1--      0.5434                 0.6557                 0.4763
 Alpha2 Fr= 1--      0.0240                 0.0667                 0.0385
 Beta2  Fr= 1--      0.2672                 1.3957                 0.3099
 AlphaG Fr= 1--     -0.0045                -0.4495                 0.0127
 Gamma2 Fr= 1--     -0.3777                -3.3517                 1.9877
 Delta2 Fr= 1--     -0.2640                -1.2559                 0.5485
 Raman1 Fr= 1--      11.801                 51.082                 15.616
 ROA1   Fr= 1--     -44.704               -361.948                208.371
 CID1   Fr= 1--      -3.788                 -7.086                 13.343
 Raman2 Fr= 1--       3.206                 16.748                  3.719
 ROA2   Fr= 1--      -6.951                -70.393                 43.317
 CID2   Fr= 1--      -2.168                 -4.203                 11.647
 Raman3 Fr= 1--       6.412                 33.496                  7.438
 ROA3   Fr= 1--     -44.704               -361.948                208.371
 CID3   Fr= 1--      -6.972                -10.806                 28.013
 RC180  Fr= 1--       0.087                  0.311                 -0.047
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.11  -0.01    -0.11  -0.01   0.02     0.15  -0.00   0.09
     2   6    -0.04  -0.06  -0.11    -0.00  -0.07  -0.07    -0.05  -0.02  -0.01
     3   6    -0.02  -0.03   0.06     0.08   0.05  -0.03    -0.02  -0.01  -0.02
     4   6     0.01  -0.03   0.01     0.04   0.02  -0.01    -0.01   0.00  -0.04
     5   6    -0.00  -0.06  -0.10    -0.08  -0.05   0.16    -0.06   0.02  -0.05
     6   6    -0.04   0.07   0.04     0.06  -0.08  -0.04    -0.05  -0.06   0.00
     7   6     0.16  -0.10  -0.00     0.13   0.06  -0.06    -0.01   0.04  -0.13
     8   6     0.01   0.03   0.11    -0.03   0.12   0.04    -0.02  -0.05   0.17
     9   1    -0.29   0.13   0.18    -0.05   0.11  -0.01     0.38   0.14  -0.07
    10   1    -0.27   0.01   0.03     0.12  -0.10  -0.11    -0.02  -0.04  -0.11
    11   1    -0.06  -0.23  -0.13    -0.14   0.02  -0.09    -0.25   0.13  -0.04
    12   1     0.07  -0.08  -0.09    -0.08  -0.28   0.24    -0.11   0.15   0.14
    13   1     0.01   0.05  -0.12    -0.17   0.06   0.03     0.09  -0.14   0.17
    14   1    -0.01   0.00  -0.20    -0.14  -0.18   0.33    -0.04   0.17  -0.26
    15   6    -0.01   0.03   0.01     0.02  -0.03  -0.02    -0.02  -0.01  -0.02
    16   6    -0.00   0.04   0.02    -0.02  -0.04  -0.03     0.09   0.00   0.04
    17   1     0.22  -0.02  -0.05     0.21   0.15  -0.05     0.08   0.20  -0.43
    18   1    -0.20   0.17   0.36    -0.15   0.35   0.17    -0.04   0.03   0.20
    19   1    -0.11   0.10  -0.04     0.01   0.02  -0.00    -0.04  -0.04   0.15
    20   1     0.02  -0.05  -0.04    -0.02   0.06   0.03    -0.01   0.06  -0.09
    21   1     0.01   0.04  -0.17    -0.00  -0.04   0.19     0.01  -0.02   0.06
    22   1     0.03  -0.12   0.14    -0.03   0.13  -0.16     0.01   0.03  -0.03
    23   1     0.04  -0.09  -0.04    -0.10   0.03   0.01     0.19   0.09   0.05
    24   1    -0.19  -0.14  -0.09     0.14   0.07   0.08     0.09   0.07   0.00
    25   1     0.27   0.01   0.03    -0.20  -0.02  -0.02    -0.03   0.02  -0.04
    26   1     0.17   0.04   0.10    -0.20   0.07   0.01    -0.14   0.07  -0.10
                     22                     23                     24
                      A                      A                      A
 Frequencies --    909.6935               919.4357               941.1284
 Red. masses --      1.4301                 1.8501                 2.0311
 Frc consts  --      0.6973                 0.9215                 1.0599
 IR Inten    --     35.2518                 5.6351                 1.6390
 RamAct Fr= 1--     10.6304                 1.9772                 6.6963
  Dep-P Fr= 1--      0.6908                 0.4995                 0.5126
  Dep-U Fr= 1--      0.8171                 0.6662                 0.6778
 Alpha2 Fr= 1--      0.0110                 0.0098                 0.0311
 Beta2  Fr= 1--      1.4477                 0.2195                 0.7564
 AlphaG Fr= 1--     -0.0791                -0.1137                 0.0815
 Gamma2 Fr= 1--     -0.5868                 0.5376                 5.0257
 Delta2 Fr= 1--      0.2752                -0.4424                 2.2943
 Raman1 Fr= 1--      42.521                  7.909                 26.785
 ROA1   Fr= 1--     -47.525                 37.452                555.886
 CID1   Fr= 1--      -1.118                  4.736                 20.754
 Raman2 Fr= 1--      17.372                  2.635                  9.077
 ROA2   Fr= 1--     -16.284                 16.442                102.263
 CID2   Fr= 1--      -0.937                  6.241                 11.266
 Raman3 Fr= 1--      34.744                  5.269                 18.155
 ROA3   Fr= 1--     -47.525                 37.452                555.886
 CID3   Fr= 1--      -1.368                  7.108                 30.619
 RC180  Fr= 1--       0.634                  0.332                  0.356
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01   0.00     0.04   0.06  -0.02    -0.08   0.05   0.01
     2   6     0.03   0.02  -0.01    -0.06  -0.00  -0.00     0.03  -0.08  -0.05
     3   6    -0.02  -0.01   0.06    -0.06  -0.06  -0.01     0.04   0.01   0.03
     4   6     0.08   0.07  -0.12    -0.01  -0.04  -0.09     0.05  -0.02   0.03
     5   6     0.02  -0.03  -0.05    -0.03   0.13   0.11    -0.09   0.13  -0.06
     6   6    -0.01   0.02   0.01     0.02  -0.01  -0.01    -0.05  -0.05   0.01
     7   6    -0.02   0.00   0.02     0.05  -0.06   0.04    -0.01   0.08   0.09
     8   6    -0.02  -0.02  -0.01     0.10   0.02  -0.05     0.02  -0.10  -0.03
     9   1    -0.04   0.04   0.03    -0.08   0.02   0.07    -0.17   0.20   0.11
    10   1     0.06   0.03   0.11    -0.28   0.03  -0.06     0.07  -0.09  -0.07
    11   1     0.05  -0.10  -0.02    -0.00   0.00   0.01     0.13  -0.03  -0.03
    12   1    -0.23  -0.28   0.47    -0.26   0.19   0.39     0.12  -0.18  -0.10
    13   1    -0.38  -0.19   0.57     0.27  -0.26   0.17    -0.09   0.05  -0.03
    14   1     0.09  -0.02  -0.09    -0.16   0.15   0.12    -0.11   0.28  -0.26
    15   6    -0.00   0.01   0.00     0.01  -0.01  -0.01    -0.01  -0.04  -0.04
    16   6    -0.01   0.01   0.01    -0.00  -0.01  -0.02     0.05   0.01   0.04
    17   1    -0.04  -0.03   0.07     0.03  -0.09   0.07     0.11   0.20   0.20
    18   1     0.05   0.03  -0.10    -0.09  -0.27   0.19     0.07  -0.07  -0.09
    19   1     0.02   0.01   0.10    -0.06  -0.02  -0.38     0.19  -0.43  -0.14
    20   1     0.00  -0.01  -0.00    -0.01   0.03   0.01    -0.03   0.17  -0.10
    21   1     0.00   0.01  -0.04    -0.00  -0.02   0.08     0.04  -0.06   0.27
    22   1     0.01  -0.03   0.04    -0.01   0.05  -0.06     0.01   0.16  -0.13
    23   1     0.02  -0.02  -0.01    -0.09  -0.01  -0.00     0.18   0.04   0.03
    24   1    -0.07  -0.04  -0.03     0.07   0.03   0.04    -0.02   0.01  -0.04
    25   1     0.07   0.00   0.00    -0.05  -0.00   0.02     0.05   0.01  -0.02
    26   1     0.01  -0.09  -0.03     0.14   0.04   0.05    -0.05   0.08   0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --    956.9516               970.4257               992.5283
 Red. masses --      1.5056                 1.9395                 1.6957
 Frc consts  --      0.8124                 1.0761                 0.9842
 IR Inten    --      0.9269                 1.0595                 0.3031
 RamAct Fr= 1--      3.8311                 3.6153                 0.9558
  Dep-P Fr= 1--      0.6307                 0.7308                 0.5005
  Dep-U Fr= 1--      0.7736                 0.8445                 0.6672
 Alpha2 Fr= 1--      0.0083                 0.0012                 0.0047
 Beta2  Fr= 1--      0.4939                 0.5088                 0.1063
 AlphaG Fr= 1--      0.0284                 0.0088                 0.0400
 Gamma2 Fr= 1--      0.5240                -2.5604                 0.2154
 Delta2 Fr= 1--     -0.2196                -2.1412                 0.0282
 Raman1 Fr= 1--      15.325                 14.461                  3.823
 ROA1   Fr= 1--      43.280               -314.317                 21.584
 CID1   Fr= 1--       2.824                -21.735                  5.646
 Raman2 Fr= 1--       5.927                  6.106                  1.275
 ROA2   Fr= 1--      14.334                -44.320                  4.945
 CID2   Fr= 1--       2.418                 -7.258                  3.878
 Raman3 Fr= 1--      11.855                 12.212                  2.551
 ROA3   Fr= 1--      43.280               -314.317                 21.584
 CID3   Fr= 1--       3.651                -25.739                  8.462
 RC180  Fr= 1--       0.547                  0.689                  0.334
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.03    -0.04  -0.03  -0.05    -0.08   0.03   0.10
     2   6    -0.00  -0.01  -0.03     0.02   0.06   0.04     0.08   0.04  -0.07
     3   6     0.00  -0.00  -0.01     0.01   0.00  -0.00    -0.00  -0.00  -0.07
     4   6    -0.01  -0.01  -0.00     0.02   0.00   0.01    -0.06  -0.05  -0.03
     5   6    -0.01   0.03  -0.01     0.03   0.02   0.05     0.06   0.03   0.04
     6   6     0.09   0.02   0.05    -0.08  -0.09   0.10    -0.00  -0.02   0.04
     7   6     0.01   0.00   0.01     0.03  -0.06  -0.04     0.07  -0.03  -0.01
     8   6    -0.01  -0.04   0.03     0.01   0.06  -0.06    -0.05  -0.02   0.00
     9   1     0.05   0.09   0.01    -0.09  -0.16  -0.04     0.06   0.26   0.03
    10   1     0.01  -0.01   0.00     0.01   0.06   0.08     0.14   0.07   0.23
    11   1    -0.06  -0.03  -0.04     0.05  -0.01   0.04    -0.17  -0.20  -0.14
    12   1     0.00   0.06  -0.03     0.01  -0.08   0.01    -0.06   0.35  -0.03
    13   1     0.03  -0.04   0.03    -0.05   0.04  -0.03     0.26  -0.20   0.09
    14   1    -0.05   0.06  -0.04     0.10   0.01   0.04     0.12   0.04   0.01
    15   6     0.10   0.05  -0.04    -0.05   0.04  -0.10    -0.04   0.00  -0.03
    16   6    -0.11  -0.05   0.02     0.04  -0.05   0.12    -0.01   0.01  -0.00
    17   1    -0.00  -0.02   0.07     0.02  -0.04  -0.16     0.09  -0.06   0.27
    18   1     0.04  -0.03  -0.02    -0.05  -0.01   0.02     0.17  -0.11  -0.26
    19   1     0.03  -0.08   0.05    -0.10   0.18  -0.12     0.03   0.08   0.29
    20   1    -0.06  -0.25   0.48    -0.00   0.11  -0.27     0.01   0.11  -0.21
    21   1    -0.25   0.11  -0.28     0.03   0.03  -0.09     0.08  -0.02   0.05
    22   1    -0.22   0.07  -0.37     0.02   0.01  -0.00     0.06   0.00   0.07
    23   1     0.23   0.08  -0.01     0.63   0.23   0.10    -0.05  -0.04  -0.01
    24   1    -0.29  -0.01  -0.20    -0.20   0.08  -0.21    -0.03  -0.04   0.01
    25   1    -0.20  -0.03  -0.20    -0.20  -0.00  -0.25     0.06  -0.00   0.04
    26   1    -0.07   0.01  -0.02     0.07  -0.06   0.01    -0.24  -0.00  -0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1012.3060              1032.9575              1066.5896
 Red. masses --      1.4767                 1.8057                 1.7341
 Frc consts  --      0.8916                 1.1352                 1.1623
 IR Inten    --      0.1185                 0.1835                 0.4068
 RamAct Fr= 1--      1.5041                 5.8246                 5.8577
  Dep-P Fr= 1--      0.1097                 0.0972                 0.4444
  Dep-U Fr= 1--      0.1977                 0.1772                 0.6154
 Alpha2 Fr= 1--      0.0257                 0.1027                 0.0367
 Beta2  Fr= 1--      0.0496                 0.1721                 0.6008
 AlphaG Fr= 1--      0.0099                 0.0679                -0.1028
 Gamma2 Fr= 1--      0.7136                -0.4075                -0.4835
 Delta2 Fr= 1--      0.4657                -0.5485                -0.7994
 Raman1 Fr= 1--       6.016                 23.298                 23.431
 ROA1   Fr= 1--      83.407                -56.669                -71.993
 CID1   Fr= 1--      13.863                 -2.432                 -3.073
 Raman2 Fr= 1--       0.595                  2.065                  7.209
 ROA2   Fr= 1--      13.400                 -5.392                 -5.208
 CID2   Fr= 1--      22.528                 -2.611                 -0.722
 Raman3 Fr= 1--       1.190                  4.129                 14.418
 ROA3   Fr= 1--      83.407                -56.669                -71.993
 CID3   Fr= 1--      70.111                -13.723                 -4.993
 RC180  Fr= 1--      -0.605                 -0.646                  0.231
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.09  -0.02    -0.01  -0.08   0.00     0.07  -0.09  -0.02
     2   6    -0.05   0.06  -0.01    -0.01   0.09  -0.02    -0.13   0.02  -0.06
     3   6     0.03   0.02  -0.01     0.03   0.01  -0.01     0.02   0.02   0.02
     4   6     0.02   0.02   0.02     0.05   0.03   0.04    -0.04  -0.00  -0.02
     5   6    -0.02   0.04   0.03    -0.08   0.13   0.02     0.07  -0.01  -0.03
     6   6     0.01   0.00   0.01     0.03  -0.01   0.02     0.01  -0.01   0.02
     7   6     0.03  -0.04  -0.02     0.06  -0.10  -0.02     0.03   0.09   0.11
     8   6     0.01  -0.00   0.01    -0.02  -0.04   0.03    -0.01  -0.01  -0.03
     9   1     0.11  -0.12  -0.09     0.09  -0.08  -0.08     0.07   0.03  -0.00
    10   1    -0.03   0.07   0.12    -0.06   0.13   0.19    -0.15   0.04   0.05
    11   1    -0.17  -0.07  -0.05    -0.14  -0.16  -0.07    -0.16  -0.08  -0.07
    12   1     0.04  -0.10  -0.02     0.13  -0.22  -0.09    -0.05   0.19  -0.01
    13   1    -0.10   0.09  -0.03    -0.21   0.13  -0.01     0.10  -0.08   0.05
    14   1     0.00   0.04   0.02    -0.19   0.26  -0.13     0.38  -0.17   0.11
    15   6     0.02  -0.07  -0.04    -0.03   0.07   0.02    -0.03   0.01  -0.01
    16   6    -0.04   0.09   0.03     0.01  -0.04  -0.06    -0.01  -0.02   0.01
    17   1    -0.10  -0.18  -0.05    -0.07  -0.26  -0.02    -0.00   0.04   0.20
    18   1    -0.01  -0.03   0.03    -0.02   0.06   0.04    -0.14   0.47   0.12
    19   1    -0.02   0.04   0.02     0.10  -0.23   0.02     0.21  -0.42  -0.16
    20   1    -0.05   0.17   0.03     0.04  -0.10  -0.09     0.01   0.03  -0.12
    21   1     0.00  -0.08   0.36     0.03   0.07  -0.29     0.05   0.00  -0.02
    22   1    -0.03   0.24  -0.26     0.04  -0.18   0.22     0.04  -0.03   0.09
    23   1    -0.01  -0.20  -0.10    -0.20   0.03   0.02     0.07   0.04   0.02
    24   1    -0.34  -0.24  -0.12     0.25   0.10   0.13    -0.03   0.01  -0.02
    25   1     0.48   0.03   0.08    -0.20  -0.02   0.04    -0.09  -0.01  -0.05
    26   1    -0.01  -0.11  -0.07    -0.04  -0.18  -0.10     0.02  -0.13  -0.09
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1080.4611              1103.0372              1132.2573
 Red. masses --      1.8455                 1.3001                 1.4716
 Frc consts  --      1.2693                 0.9320                 1.1115
 IR Inten    --      1.1460                 0.1015                 5.1091
 RamAct Fr= 1--      2.6690                 3.2076                 4.7124
  Dep-P Fr= 1--      0.7126                 0.3309                 0.5940
  Dep-U Fr= 1--      0.8322                 0.4973                 0.7453
 Alpha2 Fr= 1--      0.0017                 0.0299                 0.0137
 Beta2  Fr= 1--      0.3702                 0.2659                 0.5854
 AlphaG Fr= 1--      0.0250                 0.0359                -0.2226
 Gamma2 Fr= 1--     -2.3630                 0.6246                -3.7231
 Delta2 Fr= 1--     -0.9224                 0.2962                -0.8444
 Raman1 Fr= 1--      10.676                 12.830                 18.850
 ROA1   Fr= 1--    -256.368                 69.441               -384.436
 CID1   Fr= 1--     -24.014                  5.412                -20.395
 Raman2 Fr= 1--       4.442                  3.190                  7.024
 ROA2   Fr= 1--     -49.333                 12.620                -82.599
 CID2   Fr= 1--     -11.106                  3.956                -11.759
 Raman3 Fr= 1--       8.884                  6.380                 14.049
 ROA3   Fr= 1--    -256.368                 69.441               -384.436
 CID3   Fr= 1--     -28.856                 10.883                -27.365
 RC180  Fr= 1--       0.664                 -0.005                  0.491
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.02  -0.09    -0.03  -0.01   0.05    -0.00  -0.02   0.05
     2   6     0.00  -0.02   0.09     0.06  -0.00  -0.02    -0.00   0.02  -0.03
     3   6     0.00  -0.01   0.07     0.04   0.03  -0.02    -0.01  -0.01  -0.02
     4   6     0.00  -0.05  -0.03    -0.02  -0.02  -0.01     0.01   0.01   0.01
     5   6     0.05   0.13   0.02    -0.03   0.02   0.00     0.04   0.04  -0.08
     6   6     0.00   0.01   0.01    -0.00  -0.01  -0.02    -0.02   0.08   0.06
     7   6     0.05  -0.05  -0.05    -0.09  -0.04  -0.01    -0.02  -0.04   0.06
     8   6    -0.13  -0.07   0.00     0.05   0.01   0.00     0.02  -0.06  -0.03
     9   1    -0.21  -0.16  -0.00    -0.04   0.31   0.12     0.06   0.10   0.02
    10   1     0.01  -0.06  -0.14     0.25  -0.02   0.10    -0.24   0.09   0.07
    11   1     0.12   0.16   0.13     0.38  -0.14   0.02     0.13  -0.13  -0.02
    12   1    -0.03   0.11   0.03    -0.03   0.13  -0.01     0.05  -0.02  -0.07
    13   1     0.16  -0.13   0.04     0.10  -0.08   0.04    -0.09   0.02   0.05
    14   1     0.27   0.03   0.10     0.07  -0.06   0.08    -0.30  -0.23   0.37
    15   6     0.02  -0.01  -0.01     0.00   0.01   0.01     0.01  -0.05  -0.03
    16   6    -0.01   0.02  -0.02    -0.00   0.03   0.01     0.01  -0.05  -0.03
    17   1     0.11   0.08  -0.40    -0.31  -0.23  -0.38     0.19   0.26  -0.26
    18   1    -0.02   0.42  -0.14    -0.19   0.27   0.28    -0.04   0.11   0.04
    19   1     0.14  -0.18   0.36     0.02  -0.12  -0.21    -0.11   0.25   0.13
    20   1    -0.01  -0.00   0.07     0.01  -0.04   0.02    -0.04   0.12   0.03
    21   1    -0.03  -0.00   0.03    -0.00   0.01  -0.05    -0.02  -0.05   0.21
    22   1    -0.02   0.05  -0.08    -0.01  -0.03   0.02    -0.00   0.15  -0.15
    23   1    -0.10  -0.05  -0.02     0.01  -0.04  -0.02    -0.06   0.09   0.05
    24   1     0.02  -0.03   0.04    -0.05  -0.05  -0.01     0.15   0.11   0.05
    25   1     0.06   0.00   0.05     0.11   0.01   0.01    -0.21  -0.02   0.00
    26   1     0.14   0.07   0.10    -0.07  -0.10  -0.06    -0.03  -0.19  -0.11
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1171.5632              1214.7820              1225.6054
 Red. masses --      1.5883                 1.5442                 1.5578
 Frc consts  --      1.2844                 1.3426                 1.3787
 IR Inten    --      2.2865                 1.4122                 1.0076
 RamAct Fr= 1--      9.9937                14.1841                 2.9045
  Dep-P Fr= 1--      0.7340                 0.5448                 0.6778
  Dep-U Fr= 1--      0.8466                 0.7054                 0.8080
 Alpha2 Fr= 1--      0.0027                 0.0558                 0.0037
 Beta2  Fr= 1--      1.4101                 1.6675                 0.3911
 AlphaG Fr= 1--     -0.0128                -0.1281                -0.0167
 Gamma2 Fr= 1--      1.9983                -2.5002                -0.3644
 Delta2 Fr= 1--     -0.7794                 0.4754                 0.8190
 Raman1 Fr= 1--      39.975                 56.736                 11.618
 ROA1   Fr= 1--     166.892               -224.807                 -8.778
 CID1   Fr= 1--       4.175                 -3.962                 -0.756
 Raman2 Fr= 1--      16.921                 20.010                  4.693
 ROA2   Fr= 1--      54.194                -63.808                -15.299
 CID2   Fr= 1--       3.203                 -3.189                 -3.260
 Raman3 Fr= 1--      33.841                 40.019                  9.387
 ROA3   Fr= 1--     166.892               -224.807                 -8.778
 CID3   Fr= 1--       4.932                 -5.617                 -0.935
 RC180  Fr= 1--       0.693                  0.411                  0.616
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.03     0.00  -0.01   0.02    -0.03   0.02   0.01
     2   6    -0.01  -0.05   0.01    -0.03  -0.01   0.02     0.06   0.03  -0.05
     3   6    -0.02  -0.02   0.05     0.01  -0.00  -0.02    -0.02   0.00   0.03
     4   6    -0.00   0.01  -0.01    -0.01   0.01   0.00     0.02  -0.02  -0.01
     5   6     0.03   0.04  -0.07     0.01   0.03  -0.01     0.02   0.08  -0.05
     6   6     0.13   0.03   0.06     0.12  -0.11  -0.07    -0.06  -0.06  -0.11
     7   6     0.01   0.03  -0.03     0.01   0.03   0.02    -0.05  -0.04   0.02
     8   6     0.01  -0.03   0.03    -0.04   0.02   0.01     0.02  -0.01   0.04
     9   1    -0.06   0.01   0.04    -0.04   0.17   0.08     0.16  -0.42  -0.22
    10   1     0.40  -0.13  -0.04    -0.29   0.02  -0.09     0.06   0.05   0.10
    11   1    -0.17   0.12  -0.01     0.27  -0.01   0.08    -0.25  -0.06  -0.12
    12   1    -0.01   0.02  -0.01     0.00   0.03  -0.02     0.03  -0.05  -0.01
    13   1    -0.03   0.02   0.00    -0.05   0.02   0.02     0.06  -0.05   0.02
    14   1    -0.42  -0.11   0.23    -0.28  -0.06   0.17    -0.12  -0.28   0.46
    15   6    -0.08  -0.02  -0.03    -0.05   0.04   0.03     0.02   0.02   0.04
    16   6    -0.05  -0.03   0.00    -0.04   0.04   0.04     0.01   0.03   0.04
    17   1    -0.29  -0.33   0.04     0.18   0.27  -0.23     0.10   0.13   0.09
    18   1    -0.02   0.04   0.06     0.12  -0.22  -0.17    -0.03   0.01   0.10
    19   1    -0.01   0.01   0.03     0.03  -0.05   0.05     0.03  -0.12  -0.08
    20   1     0.00   0.15  -0.29     0.05  -0.09  -0.16     0.02  -0.12   0.08
    21   1     0.15  -0.05   0.10     0.12   0.02  -0.14    -0.03   0.03  -0.07
    22   1     0.12   0.03   0.14     0.04  -0.13   0.21    -0.03  -0.11   0.07
    23   1     0.00   0.01  -0.00     0.09  -0.12  -0.06     0.13  -0.03  -0.01
    24   1    -0.11  -0.01  -0.07    -0.23  -0.12  -0.09    -0.07  -0.02  -0.03
    25   1    -0.13  -0.02  -0.07     0.17   0.02  -0.06     0.13   0.02  -0.04
    26   1     0.01   0.23   0.11     0.07  -0.28  -0.14    -0.13   0.31   0.15
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1231.6600              1244.9767              1264.6837
 Red. masses --      1.7511                 2.2311                 1.4647
 Frc consts  --      1.5651                 2.0375                 1.3802
 IR Inten    --      1.1306                 2.5855                 1.1033
 RamAct Fr= 1--     11.2140                 6.3567                 5.8348
  Dep-P Fr= 1--      0.6099                 0.1684                 0.4927
  Dep-U Fr= 1--      0.7577                 0.2883                 0.6601
 Alpha2 Fr= 1--      0.0289                 0.0937                 0.0298
 Beta2  Fr= 1--      1.4161                 0.3055                 0.6419
 AlphaG Fr= 1--     -0.0752                -0.0418                -0.0957
 Gamma2 Fr= 1--     -1.3027                -2.3913                 0.6616
 Delta2 Fr= 1--     -0.4944                -0.9413                 0.6167
 Raman1 Fr= 1--      44.856                 25.427                 23.339
 ROA1   Fr= 1--    -140.881               -259.691                 83.251
 CID1   Fr= 1--      -3.141                -10.213                  3.567
 Raman2 Fr= 1--      16.993                  3.666                  7.703
 ROA2   Fr= 1--     -27.310                -49.862                 10.946
 CID2   Fr= 1--      -1.607                -13.603                  1.421
 Raman3 Fr= 1--      33.985                  7.331                 15.407
 ROA3   Fr= 1--    -140.881               -259.691                 83.251
 CID3   Fr= 1--      -4.145                -35.423                  5.404
 RC180  Fr= 1--       0.515                 -0.423                  0.320
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.05     0.02   0.02   0.01     0.03  -0.03  -0.04
     2   6    -0.07   0.01  -0.01    -0.00  -0.00  -0.05    -0.03   0.01   0.04
     3   6     0.05   0.03   0.03    -0.05  -0.04   0.00    -0.00  -0.01  -0.02
     4   6    -0.01  -0.01  -0.01     0.01   0.01   0.00    -0.00   0.02   0.01
     5   6    -0.09   0.03  -0.01     0.02  -0.03  -0.01     0.02   0.02  -0.06
     6   6    -0.03  -0.08  -0.04     0.04  -0.14   0.22    -0.11  -0.02   0.02
     7   6     0.05   0.04   0.08    -0.06  -0.01   0.08     0.04  -0.03   0.00
     8   6     0.06  -0.11  -0.07     0.01   0.06  -0.05    -0.03   0.08   0.05
     9   1    -0.12   0.21   0.12     0.09  -0.16  -0.07    -0.20   0.43   0.22
    10   1     0.39  -0.06   0.08     0.19  -0.02   0.09     0.31  -0.06   0.02
    11   1    -0.16   0.06  -0.01    -0.09  -0.02  -0.06    -0.22   0.11   0.01
    12   1    -0.03   0.05   0.03     0.02  -0.07  -0.01     0.00   0.01  -0.01
    13   1     0.07  -0.03  -0.01    -0.05   0.04  -0.02    -0.06   0.04  -0.00
    14   1     0.06  -0.03   0.04     0.04   0.04  -0.11    -0.04  -0.23   0.29
    15   6     0.01   0.04   0.02     0.01   0.05  -0.06     0.04   0.01  -0.00
    16   6     0.01   0.02   0.00    -0.01   0.06  -0.08     0.03   0.01  -0.01
    17   1     0.04   0.05  -0.02     0.14   0.32  -0.40    -0.00  -0.08  -0.02
    18   1    -0.03   0.07   0.04     0.01  -0.03  -0.05     0.15  -0.33  -0.15
    19   1    -0.28   0.64   0.28     0.04  -0.06  -0.17     0.12  -0.28  -0.13
    20   1     0.03  -0.12   0.03     0.02  -0.00  -0.09    -0.01  -0.04   0.13
    21   1    -0.03   0.05  -0.15    -0.05   0.07  -0.22    -0.11   0.03  -0.01
    22   1    -0.05  -0.11   0.05    -0.07   0.03  -0.13    -0.07  -0.02  -0.10
    23   1     0.01  -0.03  -0.02    -0.32  -0.14  -0.09    -0.04   0.02   0.01
    24   1     0.02  -0.02   0.03     0.08  -0.15   0.14     0.09   0.01   0.05
    25   1     0.08   0.01   0.02     0.12   0.02   0.22     0.02   0.00   0.07
    26   1     0.03   0.07   0.04    -0.11   0.30   0.13     0.12  -0.14  -0.07
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1288.8859              1293.3832              1317.6069
 Red. masses --      1.6423                 1.7058                 1.8432
 Frc consts  --      1.6074                 1.6813                 1.8853
 IR Inten    --      2.7381                 0.8457                 0.5052
 RamAct Fr= 1--      6.2048                 3.4917                 6.7260
  Dep-P Fr= 1--      0.5167                 0.5310                 0.2871
  Dep-U Fr= 1--      0.6813                 0.6937                 0.4461
 Alpha2 Fr= 1--      0.0283                 0.0148                 0.0717
 Beta2  Fr= 1--      0.7046                 0.4037                 0.5001
 AlphaG Fr= 1--     -0.0329                 0.0436                -0.0584
 Gamma2 Fr= 1--      5.2441                 1.1774                -4.0004
 Delta2 Fr= 1--      4.2866                 0.5854                -1.4391
 Raman1 Fr= 1--      24.819                 13.967                 26.904
 ROA1   Fr= 1--     640.609                131.759               -430.092
 CID1   Fr= 1--      25.811                  9.434                -15.986
 Raman2 Fr= 1--       8.455                  4.844                  6.001
 ROA2   Fr= 1--      91.566                 23.574                -84.498
 CID2   Fr= 1--      10.830                  4.866                -14.080
 Raman3 Fr= 1--      16.910                  9.688                 12.003
 ROA3   Fr= 1--     640.609                131.759               -430.092
 CID3   Fr= 1--      37.882                 13.600                -35.833
 RC180  Fr= 1--       0.363                  0.387                 -0.108
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.06   0.02     0.02   0.04   0.04    -0.03  -0.04   0.01
     2   6     0.02  -0.02   0.05     0.03  -0.04  -0.00    -0.04   0.00  -0.02
     3   6    -0.00  -0.01  -0.02    -0.14  -0.08  -0.11     0.08   0.09   0.08
     4   6     0.00   0.00   0.00     0.07   0.01   0.04    -0.02  -0.04  -0.03
     5   6     0.06   0.02  -0.01    -0.05   0.08  -0.00    -0.09   0.00  -0.10
     6   6    -0.04  -0.10   0.07     0.03  -0.01   0.01    -0.03  -0.04   0.09
     7   6    -0.04   0.04  -0.12     0.02   0.06  -0.01     0.07   0.07  -0.06
     8   6     0.04  -0.06  -0.00     0.02  -0.03   0.01     0.01   0.02   0.05
     9   1    -0.01  -0.04  -0.02     0.02   0.12   0.05     0.11  -0.23  -0.13
    10   1    -0.06  -0.02  -0.06    -0.21   0.00  -0.07    -0.27   0.04  -0.08
    11   1    -0.06   0.12   0.05     0.02   0.03   0.00     0.52  -0.12   0.07
    12   1     0.02   0.01  -0.03     0.13  -0.32  -0.07    -0.02   0.05  -0.01
    13   1    -0.04   0.00   0.02    -0.11   0.08  -0.02     0.21  -0.15   0.06
    14   1    -0.23   0.00   0.09     0.70  -0.25   0.27     0.07  -0.23   0.18
    15   6     0.02   0.03  -0.02    -0.01   0.01   0.00     0.01   0.01  -0.02
    16   6     0.01   0.05  -0.02    -0.00   0.00  -0.00     0.02   0.01  -0.03
    17   1     0.03   0.01   0.55    -0.18  -0.18  -0.01    -0.16  -0.24   0.15
    18   1    -0.14   0.33   0.21     0.00  -0.05   0.04     0.14  -0.30  -0.11
    19   1    -0.05   0.07  -0.00    -0.05   0.12   0.10    -0.05   0.07  -0.00
    20   1     0.01  -0.04   0.02     0.01  -0.00  -0.05     0.00  -0.01   0.00
    21   1    -0.07   0.04  -0.09     0.02   0.00  -0.03    -0.04   0.02  -0.04
    22   1    -0.07  -0.03  -0.08     0.00  -0.01   0.02    -0.04   0.00  -0.06
    23   1    -0.11  -0.09  -0.05    -0.01  -0.03  -0.01    -0.13  -0.01  -0.00
    24   1     0.01  -0.11   0.06    -0.02  -0.02  -0.00     0.05  -0.05   0.04
    25   1     0.08   0.02   0.10    -0.01   0.00  -0.01    -0.06   0.00   0.09
    26   1     0.20  -0.45  -0.21    -0.03   0.03  -0.00    -0.10   0.11   0.07
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1327.0278              1349.9229              1373.8691
 Red. masses --      1.6437                 1.6964                 1.4409
 Frc consts  --      1.7054                 1.8214                 1.6024
 IR Inten    --      1.8627                 1.4534                 0.2508
 RamAct Fr= 1--      1.7894                 4.8547                 2.4882
  Dep-P Fr= 1--      0.5985                 0.5126                 0.7246
  Dep-U Fr= 1--      0.7488                 0.6777                 0.8403
 Alpha2 Fr= 1--      0.0050                 0.0226                 0.0011
 Beta2  Fr= 1--      0.2233                 0.5484                 0.3485
 AlphaG Fr= 1--     -0.0053                -0.0326                -0.0014
 Gamma2 Fr= 1--      1.9332                -1.0740                 0.0376
 Delta2 Fr= 1--      1.5035                -1.1238                -0.3968
 Raman1 Fr= 1--       7.158                 19.419                  9.953
 ROA1   Fr= 1--     233.699               -139.068                 -9.092
 CID1   Fr= 1--      32.651                 -7.162                 -0.914
 Raman2 Fr= 1--       2.680                  6.580                  4.182
 ROA2   Fr= 1--      34.368                -16.787                  4.076
 CID2   Fr= 1--      12.825                 -2.551                  0.975
 Raman3 Fr= 1--       5.360                 13.161                  8.364
 ROA3   Fr= 1--     233.699               -139.068                 -9.092
 CID3   Fr= 1--      43.603                -10.567                 -1.087
 RC180  Fr= 1--       0.498                  0.355                  0.681
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.06   0.01    -0.01   0.13   0.07     0.03   0.02   0.03
     2   6    -0.02   0.02  -0.02    -0.07  -0.05  -0.05    -0.14   0.04  -0.02
     3   6    -0.05  -0.08  -0.03    -0.03   0.00  -0.03    -0.05  -0.02  -0.03
     4   6     0.00   0.04   0.01     0.01  -0.01   0.00     0.02   0.01   0.01
     5   6     0.12   0.00   0.04     0.05  -0.01   0.02    -0.00   0.02   0.01
     6   6    -0.09  -0.05  -0.03    -0.06  -0.01  -0.03     0.02   0.03  -0.01
     7   6     0.06   0.06  -0.01     0.09   0.05   0.09    -0.01  -0.07  -0.06
     8   6    -0.03  -0.03  -0.02    -0.03   0.00  -0.02    -0.00   0.01   0.01
     9   1    -0.00   0.18   0.09     0.17  -0.44  -0.19     0.08  -0.06  -0.03
    10   1    -0.17   0.05  -0.02     0.30  -0.12  -0.00     0.55  -0.07   0.12
    11   1     0.40  -0.10   0.04     0.07   0.00  -0.02     0.56  -0.06   0.10
    12   1    -0.02   0.06   0.03     0.03  -0.09  -0.03     0.04  -0.11  -0.02
    13   1    -0.21   0.15  -0.06     0.05  -0.04   0.03     0.00   0.01  -0.00
    14   1    -0.36   0.14  -0.03    -0.13   0.06  -0.03     0.11  -0.02   0.03
    15   6     0.03   0.02  -0.00     0.02   0.01  -0.00    -0.01  -0.02   0.02
    16   6     0.02   0.02   0.01     0.01  -0.01   0.00    -0.01  -0.01   0.01
    17   1    -0.16  -0.21   0.04    -0.26  -0.28  -0.33     0.32   0.23   0.31
    18   1    -0.03   0.19  -0.03     0.06  -0.04  -0.13    -0.04  -0.04   0.07
    19   1     0.01   0.01   0.09     0.00   0.01   0.05     0.05  -0.06   0.04
    20   1    -0.00  -0.07   0.11    -0.00  -0.05   0.08     0.01   0.04  -0.05
    21   1    -0.08   0.02   0.01    -0.04   0.01   0.04     0.02  -0.01  -0.04
    22   1    -0.05  -0.08  -0.02    -0.02  -0.06   0.01     0.01   0.07  -0.02
    23   1     0.03  -0.02  -0.01     0.04   0.03   0.01     0.01   0.02   0.01
    24   1     0.01  -0.03   0.02     0.03   0.02   0.01    -0.01   0.05  -0.02
    25   1     0.05   0.01   0.03     0.01  -0.01   0.01     0.02  -0.01  -0.04
    26   1    -0.24   0.47   0.21     0.12  -0.39  -0.24    -0.01   0.04   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1405.5161              1423.6932              1456.8154
 Red. masses --      1.2580                 1.2170                 1.1947
 Frc consts  --      1.4642                 1.4534                 1.4939
 IR Inten    --      6.2356                 6.7113                 1.9831
 RamAct Fr= 1--      0.1917                 0.2687                39.8291
  Dep-P Fr= 1--      0.3584                 0.1072                 0.3309
  Dep-U Fr= 1--      0.5277                 0.1937                 0.4972
 Alpha2 Fr= 1--      0.0016                 0.0046                 0.3717
 Beta2  Fr= 1--      0.0169                 0.0087                 3.3006
 AlphaG Fr= 1--     -0.0029                 0.0073                -0.1582
 Gamma2 Fr= 1--      0.1413                -0.0985                -0.8269
 Delta2 Fr= 1--      0.0288                 0.0029                 0.1925
 Raman1 Fr= 1--       0.767                  1.075                159.317
 ROA1   Fr= 1--      14.481                 -9.360                -73.225
 CID1   Fr= 1--      18.883                 -8.710                 -0.460
 Raman2 Fr= 1--       0.202                  0.104                 39.607
 ROA2   Fr= 1--       3.160                 -2.386                -21.386
 CID2   Fr= 1--      15.617                -22.925                 -0.540
 Raman3 Fr= 1--       0.405                  0.208                 79.213
 ROA3   Fr= 1--      14.481                 -9.360                -73.225
 CID3   Fr= 1--      35.787                -44.965                 -0.924
 RC180  Fr= 1--       0.055                 -0.613                 -0.006
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.03   0.01
     2   6    -0.00   0.00   0.01    -0.01   0.01   0.00    -0.01  -0.00  -0.01
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.07  -0.08   0.00
     4   6     0.00   0.00   0.00     0.00   0.00   0.00     0.02  -0.03  -0.00
     5   6    -0.01   0.00  -0.01    -0.01  -0.00   0.00    -0.04   0.02  -0.02
     6   6     0.02  -0.01   0.03     0.01   0.00   0.01     0.00   0.00   0.01
     7   6    -0.01  -0.00  -0.01    -0.01  -0.01  -0.00     0.00  -0.00   0.00
     8   6     0.01  -0.00   0.01     0.00   0.01  -0.01     0.00   0.00   0.00
     9   1    -0.01   0.00   0.01     0.01   0.01  -0.00     0.11  -0.09  -0.10
    10   1     0.01  -0.00  -0.03     0.05  -0.01  -0.01     0.04  -0.01   0.01
    11   1     0.03  -0.02   0.01     0.01  -0.02   0.00     0.03   0.00   0.00
    12   1     0.01  -0.02  -0.01     0.01  -0.03  -0.00    -0.12   0.64   0.20
    13   1     0.01  -0.01   0.00     0.02  -0.00   0.00    -0.58   0.27  -0.19
    14   1     0.03  -0.01   0.00     0.04   0.01  -0.02     0.15  -0.07   0.05
    15   6    -0.01   0.04  -0.09    -0.00   0.04  -0.09     0.00   0.00  -0.00
    16   6    -0.10  -0.02  -0.03     0.08   0.02   0.02     0.00  -0.00  -0.00
    17   1     0.03   0.03   0.03     0.05   0.05   0.01    -0.00  -0.00  -0.00
    18   1     0.03   0.02  -0.02    -0.04  -0.04   0.05     0.00  -0.05   0.01
    19   1    -0.04   0.01  -0.06     0.05  -0.01   0.06     0.00   0.00   0.01
    20   1    -0.11  -0.17   0.28    -0.11  -0.17   0.29    -0.00   0.01   0.00
    21   1     0.03  -0.00   0.39    -0.02   0.01   0.44    -0.02   0.00   0.02
    22   1     0.15  -0.27   0.26     0.13  -0.33   0.27     0.00  -0.02   0.01
    23   1     0.36   0.17  -0.04    -0.33  -0.15   0.03    -0.01   0.01   0.01
    24   1     0.29   0.18   0.25    -0.27  -0.20  -0.22     0.00   0.01  -0.01
    25   1     0.41  -0.07   0.11    -0.38   0.07  -0.07    -0.00  -0.00   0.00
    26   1    -0.01   0.01  -0.00     0.01   0.00   0.00     0.10  -0.04   0.04
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1478.3650              1485.1541              1487.0037
 Red. masses --      1.0766                 1.0508                 1.0557
 Frc consts  --      1.3863                 1.3656                 1.3753
 IR Inten    --      3.6404                 3.0541                 2.3279
 RamAct Fr= 1--      7.1560                 6.8950                 1.7032
  Dep-P Fr= 1--      0.5557                 0.7464                 0.7402
  Dep-U Fr= 1--      0.7144                 0.8548                 0.8507
 Alpha2 Fr= 1--      0.0265                 0.0004                 0.0003
 Beta2  Fr= 1--      0.8520                 0.9823                 0.2415
 AlphaG Fr= 1--     -0.0106                 0.0052                 0.0024
 Gamma2 Fr= 1--     -0.9880                -0.0975                -0.1004
 Delta2 Fr= 1--      2.0534                -2.9198                 0.1394
 Raman1 Fr= 1--      28.624                 27.580                  6.813
 ROA1   Fr= 1--     -29.137               -102.792                 -5.174
 CID1   Fr= 1--      -1.018                 -3.727                 -0.760
 Raman2 Fr= 1--      10.225                 11.788                  2.898
 ROA2   Fr= 1--     -40.138                 21.019                 -3.525
 CID2   Fr= 1--      -3.926                  1.783                 -1.216
 Raman3 Fr= 1--      20.449                 23.576                  5.796
 ROA3   Fr= 1--     -29.137               -102.792                 -5.174
 CID3   Fr= 1--      -1.425                 -4.360                 -0.893
 RC180  Fr= 1--       0.429                  0.710                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.02  -0.01    -0.03  -0.01  -0.00    -0.01   0.00   0.00
     2   6    -0.01   0.01   0.01    -0.00  -0.01  -0.01    -0.00   0.02   0.01
     3   6    -0.02   0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.01
     4   6    -0.00   0.01   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.01  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.01
     6   6     0.00  -0.00   0.01    -0.01  -0.01  -0.00    -0.01   0.00  -0.02
     7   6     0.00   0.01   0.01     0.01   0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00   0.01  -0.02    -0.00   0.00  -0.01    -0.00  -0.01   0.02
     9   1     0.42   0.31  -0.29     0.18   0.13  -0.12     0.06   0.04  -0.04
    10   1     0.03  -0.04  -0.19    -0.01   0.01   0.09     0.06  -0.03  -0.17
    11   1    -0.04  -0.20  -0.02     0.02   0.08   0.01    -0.03  -0.17  -0.02
    12   1     0.01  -0.07  -0.03     0.01  -0.03  -0.01     0.00   0.00   0.00
    13   1     0.06  -0.03   0.02     0.03  -0.01   0.01    -0.02   0.01  -0.00
    14   1    -0.03   0.01  -0.01    -0.02   0.00   0.00     0.01   0.00   0.01
    15   6     0.00   0.01   0.01    -0.00  -0.03  -0.02    -0.04   0.00  -0.00
    16   6    -0.00  -0.01   0.00    -0.01   0.03   0.01     0.01   0.01  -0.03
    17   1    -0.02  -0.01  -0.02    -0.01  -0.01  -0.01     0.01   0.00   0.01
    18   1    -0.10  -0.08   0.10    -0.02  -0.04   0.02     0.07   0.08  -0.08
    19   1     0.09  -0.02   0.12     0.02  -0.00   0.03    -0.08   0.02  -0.12
    20   1     0.08  -0.11  -0.13    -0.19   0.34   0.30    -0.04  -0.29   0.16
    21   1     0.02   0.00   0.10    -0.13   0.01  -0.25     0.46  -0.06  -0.09
    22   1    -0.14  -0.08  -0.09     0.34   0.17   0.23     0.13   0.32  -0.02
    23   1    -0.07   0.06   0.05     0.20  -0.31  -0.18     0.17   0.21   0.03
    24   1    -0.00   0.13  -0.07     0.13  -0.18   0.25    -0.10  -0.36   0.06
    25   1     0.11  -0.02  -0.02    -0.16   0.04  -0.17    -0.20   0.01   0.42
    26   1     0.47  -0.02   0.39     0.20  -0.01   0.16     0.06  -0.00   0.05
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1502.6174              1505.2099              1515.4785
 Red. masses --      1.0715                 1.0673                 1.0670
 Frc consts  --      1.4254                 1.4248                 1.4438
 IR Inten    --      6.1075                 5.9165                 5.1318
 RamAct Fr= 1--      7.4733                 2.8529                 2.8501
  Dep-P Fr= 1--      0.7449                 0.7194                 0.6704
  Dep-U Fr= 1--      0.8538                 0.8368                 0.8027
 Alpha2 Fr= 1--      0.0007                 0.0015                 0.0040
 Beta2  Fr= 1--      1.0634                 0.3979                 0.3813
 AlphaG Fr= 1--     -0.0063                 0.0028                -0.0261
 Gamma2 Fr= 1--     -1.9076                 2.8025                 1.7218
 Delta2 Fr= 1--      0.2996                 0.5232                 0.5099
 Raman1 Fr= 1--      29.893                 11.412                 11.400
 ROA1   Fr= 1--    -173.545                285.777                181.606
 CID1   Fr= 1--      -5.806                 25.042                 15.930
 Raman2 Fr= 1--      12.761                  4.775                  4.575
 ROA2   Fr= 1--     -48.179                 63.074                 37.243
 CID2   Fr= 1--      -3.775                 13.210                  8.140
 Raman3 Fr= 1--      25.522                  9.549                  9.151
 ROA3   Fr= 1--    -173.545                285.777                181.606
 CID3   Fr= 1--      -6.800                 29.927                 19.846
 RC180  Fr= 1--       0.708                  0.674                  0.605
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.02  -0.01  -0.00    -0.00  -0.01  -0.00
     2   6     0.01  -0.02  -0.02    -0.00  -0.03  -0.03     0.00  -0.03  -0.03
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
     4   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.01  -0.00  -0.00    -0.00   0.00   0.01     0.00  -0.01  -0.01
     6   6    -0.02  -0.03   0.01     0.02   0.00  -0.03    -0.01   0.03   0.01
     7   6     0.00   0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00   0.02  -0.03    -0.00  -0.00   0.01    -0.00   0.02  -0.03
     9   1     0.00   0.01  -0.00     0.10   0.07  -0.07     0.00   0.01  -0.01
    10   1    -0.07   0.04   0.23    -0.07   0.05   0.35    -0.07   0.06   0.35
    11   1     0.02   0.25   0.02     0.07   0.35   0.04     0.05   0.37   0.03
    12   1    -0.00   0.00  -0.00     0.00  -0.03  -0.01    -0.00   0.01   0.00
    13   1     0.01  -0.00   0.00     0.03  -0.01   0.01     0.00  -0.00   0.00
    14   1    -0.03  -0.01   0.01     0.00   0.01   0.00    -0.01   0.00  -0.01
    15   6    -0.03  -0.01  -0.02     0.02  -0.01   0.01    -0.01   0.02   0.01
    16   6     0.01  -0.03   0.01     0.00  -0.01  -0.03    -0.01   0.02  -0.00
    17   1    -0.03  -0.02  -0.00     0.01   0.01  -0.01    -0.01  -0.02   0.00
    18   1    -0.14  -0.13   0.16     0.03   0.04  -0.03    -0.16  -0.17   0.18
    19   1     0.15  -0.03   0.21    -0.04   0.00  -0.05     0.17  -0.05   0.23
    20   1    -0.12  -0.07   0.28    -0.00   0.24  -0.08     0.12  -0.35  -0.14
    21   1     0.26  -0.03  -0.19    -0.32   0.04   0.02     0.25  -0.03   0.17
    22   1     0.25   0.29   0.09    -0.03  -0.20   0.07    -0.19  -0.01  -0.17
    23   1    -0.26   0.21   0.16     0.08   0.38   0.13     0.23  -0.18  -0.13
    24   1    -0.08   0.31  -0.26    -0.17  -0.21  -0.09     0.11  -0.18   0.23
    25   1     0.26  -0.04   0.01    -0.06  -0.03   0.47    -0.16   0.03  -0.06
    26   1     0.00  -0.00   0.00     0.11   0.00   0.10     0.00   0.00   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1523.4688              1711.3242              3023.7682
 Red. masses --      1.0841                 5.7703                 1.0391
 Frc consts  --      1.4825                 9.9566                 5.5975
 IR Inten    --      5.9389                33.4783                15.7442
 RamAct Fr= 1--      4.6275               138.8276                14.6335
  Dep-P Fr= 1--      0.5724                 0.1822                 0.4803
  Dep-U Fr= 1--      0.7281                 0.3083                 0.6489
 Alpha2 Fr= 1--      0.0155                 1.9755                 0.0790
 Beta2  Fr= 1--      0.5615                 7.1326                 1.5827
 AlphaG Fr= 1--      0.0206                -0.2545                -0.0376
 Gamma2 Fr= 1--     -1.8825                -4.6103                 0.5886
 Delta2 Fr= 1--     -0.8794                 3.3982                 0.2217
 Raman1 Fr= 1--      18.510                555.310                 58.534
 ROA1   Fr= 1--    -208.862               -333.848                 63.597
 CID1   Fr= 1--     -11.284                 -0.601                  1.086
 Raman2 Fr= 1--       6.738                 85.591                 18.992
 ROA2   Fr= 1--     -38.145               -137.834                 12.353
 CID2   Fr= 1--      -5.661                 -1.610                  0.650
 Raman3 Fr= 1--      13.476                171.182                 37.984
 ROA3   Fr= 1--    -208.862               -333.848                 63.597
 CID3   Fr= 1--     -15.499                 -1.950                  1.674
 RC180  Fr= 1--       0.456                 -0.383                  0.298
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.00     0.02  -0.06  -0.01    -0.00  -0.00  -0.00
     2   6     0.01   0.02   0.02    -0.00  -0.01  -0.00    -0.00   0.00   0.00
     3   6     0.01   0.00   0.00    -0.31   0.39   0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.26  -0.33  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.01     0.05  -0.04   0.02    -0.00   0.00   0.00
     6   6     0.01  -0.01  -0.01     0.01  -0.00  -0.01     0.00  -0.00   0.00
     7   6    -0.00   0.01   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00   0.03  -0.06     0.01  -0.00   0.00     0.00  -0.00   0.00
     9   1    -0.12  -0.09   0.09    -0.01   0.16   0.05     0.01  -0.00   0.01
    10   1     0.03  -0.04  -0.28     0.00  -0.01  -0.00    -0.01  -0.03   0.01
    11   1    -0.06  -0.28  -0.03    -0.01   0.01   0.00     0.01   0.00  -0.03
    12   1    -0.00   0.02   0.01     0.16   0.41   0.24    -0.00   0.00  -0.00
    13   1    -0.01   0.00  -0.01    -0.44  -0.05  -0.23     0.00   0.00   0.00
    14   1    -0.01  -0.01  -0.00    -0.17   0.07  -0.06    -0.00  -0.00  -0.00
    15   6     0.01  -0.01   0.00     0.00  -0.00  -0.00     0.01   0.02  -0.03
    16   6    -0.01   0.00  -0.02    -0.00   0.00   0.00    -0.04  -0.02   0.00
    17   1    -0.02   0.00  -0.00     0.00   0.00  -0.00    -0.02   0.02   0.00
    18   1    -0.29  -0.29   0.33     0.01   0.01   0.00    -0.02   0.00  -0.02
    19   1     0.29  -0.07   0.42    -0.01   0.02  -0.01     0.01   0.01  -0.00
    20   1    -0.02   0.19  -0.01    -0.01   0.03  -0.00     0.19   0.04   0.06
    21   1    -0.18   0.02  -0.05    -0.03   0.00  -0.01    -0.05  -0.40  -0.03
    22   1     0.03  -0.05   0.05     0.01  -0.01   0.02    -0.31   0.18   0.30
    23   1     0.16   0.15   0.02     0.00   0.00   0.00     0.04  -0.11   0.26
    24   1    -0.02  -0.16   0.06    -0.01   0.00  -0.01     0.34  -0.18  -0.33
    25   1    -0.04  -0.01   0.24     0.01  -0.00  -0.00     0.04   0.48   0.03
    26   1    -0.14  -0.00  -0.12     0.01  -0.02  -0.01     0.01   0.01  -0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3027.1885              3029.5247              3037.9431
 Red. masses --      1.0689                 1.0400                 1.0667
 Frc consts  --      5.7713                 5.6239                 5.8002
 IR Inten    --      4.7183                50.3511                26.3983
 RamAct Fr= 1--     32.6905               281.2405               142.4267
  Dep-P Fr= 1--      0.1664                 0.0380                 0.2790
  Dep-U Fr= 1--      0.2854                 0.0733                 0.4363
 Alpha2 Fr= 1--      0.4846                 5.7153                 1.5541
 Beta2  Fr= 1--      1.5548                 3.4357                10.3557
 AlphaG Fr= 1--     -0.8759                -0.2684                -0.1703
 Gamma2 Fr= 1--      5.0415                -2.9262                 8.6022
 Delta2 Fr= 1--     13.0653                 2.9199                -7.4912
 Raman1 Fr= 1--     130.762               1124.962                569.707
 ROA1   Fr= 1--     902.080               -187.481                586.088
 CID1   Fr= 1--       6.899                 -0.167                  1.029
 Raman2 Fr= 1--      18.658                 41.229                124.269
 ROA2   Fr= 1--      16.474                -93.589                266.382
 CID2   Fr= 1--       0.883                 -2.270                  2.144
 Raman3 Fr= 1--      37.316                 82.457                248.537
 ROA3   Fr= 1--     902.080               -187.481                586.088
 CID3   Fr= 1--      24.174                 -2.274                  2.358
 RC180  Fr= 1--      -0.429                 -0.853                 -0.127
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.03  -0.03    -0.00  -0.00   0.00    -0.02  -0.02   0.02
     2   6    -0.01  -0.03  -0.00     0.00  -0.00  -0.00    -0.00  -0.04  -0.04
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     7   6    -0.01   0.01   0.00     0.01  -0.00  -0.00    -0.03   0.02   0.00
     8   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     9   1    -0.15   0.05  -0.22     0.00  -0.00   0.00     0.02  -0.01   0.03
    10   1     0.08   0.39  -0.07     0.00   0.01  -0.00     0.11   0.56  -0.11
    11   1    -0.02  -0.02   0.10    -0.01  -0.01   0.05    -0.11  -0.08   0.55
    12   1     0.01   0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   1    -0.00  -0.01  -0.01    -0.00  -0.00   0.00     0.00   0.01   0.00
    14   1    -0.00  -0.00  -0.00    -0.01  -0.04  -0.03     0.00   0.01   0.01
    15   6     0.00   0.00   0.00    -0.02  -0.02   0.03     0.00   0.00  -0.00
    16   6    -0.00  -0.00   0.00    -0.03  -0.01   0.00    -0.00  -0.00  -0.00
    17   1     0.08  -0.07  -0.01    -0.06   0.05   0.01     0.32  -0.28  -0.05
    18   1    -0.02  -0.00  -0.02    -0.02  -0.00  -0.02    -0.01  -0.00  -0.01
    19   1     0.07   0.04  -0.03     0.02   0.01  -0.01    -0.03  -0.02   0.01
    20   1    -0.01  -0.00  -0.00    -0.23  -0.04  -0.08    -0.01  -0.00  -0.01
    21   1     0.00  -0.00   0.00     0.06   0.46   0.03    -0.00  -0.03  -0.00
    22   1     0.00  -0.00  -0.00     0.36  -0.21  -0.35    -0.02   0.01   0.02
    23   1     0.00  -0.01   0.02     0.04  -0.10   0.23     0.00  -0.00   0.00
    24   1     0.02  -0.01  -0.02     0.29  -0.15  -0.28     0.01  -0.00  -0.00
    25   1     0.00   0.03   0.00     0.03   0.41   0.02     0.00   0.02   0.00
    26   1    -0.44  -0.45   0.57     0.02   0.02  -0.03     0.20   0.20  -0.26
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3053.9508              3064.3009              3066.5072
 Red. masses --      1.0806                 1.0967                 1.0811
 Frc consts  --      5.9380                 6.0672                 5.9898
 IR Inten    --     83.1359                29.9896                32.1320
 RamAct Fr= 1--    216.9144                79.2725                64.4961
  Dep-P Fr= 1--      0.1759                 0.4343                 0.7281
  Dep-U Fr= 1--      0.2992                 0.6056                 0.8427
 Alpha2 Fr= 1--      3.1378                 0.5170                 0.0242
 Beta2  Fr= 1--     10.8160                 8.0010                 9.0582
 AlphaG Fr= 1--      0.3880                 0.1298                 0.0318
 Gamma2 Fr= 1--      5.6700                11.2288               -26.9220
 Delta2 Fr= 1--      3.9649                20.5250               -14.2197
 Raman1 Fr= 1--     867.658                317.090                257.985
 ROA1   Fr= 1--     671.198               1734.760              -3039.546
 CID1   Fr= 1--       0.774                  5.471                -11.782
 Raman2 Fr= 1--     129.792                 96.012                108.699
 ROA2   Fr= 1--     104.361                105.290               -532.372
 CID2   Fr= 1--       0.804                  1.097                 -4.898
 Raman3 Fr= 1--     259.585                192.024                217.397
 ROA3   Fr= 1--     671.198               1734.760              -3039.546
 CID3   Fr= 1--       2.586                  9.034                -13.982
 RC180  Fr= 1--      -0.402                  0.211                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.01    -0.03   0.01  -0.04    -0.00   0.00   0.00
     2   6    -0.00   0.02   0.02    -0.02  -0.05   0.05     0.00   0.01  -0.01
     3   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.01  -0.01    -0.01  -0.06  -0.04
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.06   0.05   0.01     0.01  -0.01   0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.01   0.01     0.00   0.00  -0.00    -0.01  -0.02   0.02
     9   1     0.07  -0.01   0.09     0.33  -0.09   0.44     0.01  -0.00   0.01
    10   1    -0.05  -0.25   0.05     0.11   0.55  -0.08    -0.01  -0.07   0.01
    11   1     0.06   0.05  -0.34     0.10   0.06  -0.54    -0.02  -0.01   0.11
    12   1     0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.01   0.00   0.01
    13   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.02  -0.01
    14   1    -0.01  -0.02  -0.01     0.02   0.10   0.08     0.12   0.69   0.52
    15   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.00     0.00   0.00   0.00
    16   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01  -0.00
    17   1     0.65  -0.55  -0.10    -0.08   0.07   0.01    -0.04   0.03   0.01
    18   1    -0.10  -0.00  -0.07     0.02   0.00   0.01    -0.18  -0.01  -0.14
    19   1     0.12   0.08  -0.06    -0.04  -0.03   0.02     0.30   0.20  -0.15
    20   1    -0.01  -0.00  -0.00     0.03   0.01   0.01    -0.02  -0.00  -0.01
    21   1     0.01   0.05   0.00     0.01   0.07   0.00     0.00   0.01   0.00
    22   1     0.03  -0.02  -0.03    -0.01   0.00   0.01     0.01  -0.00  -0.01
    23   1     0.01  -0.01   0.03     0.00  -0.00   0.00     0.01  -0.01   0.03
    24   1     0.01  -0.00  -0.01     0.02  -0.01  -0.02     0.03  -0.01  -0.03
    25   1     0.01   0.06   0.00    -0.00  -0.03  -0.00    -0.00  -0.06  -0.00
    26   1    -0.04  -0.04   0.04     0.00   0.01  -0.02     0.00   0.01  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3073.9905              3075.0121              3080.2467
 Red. masses --      1.0994                 1.0747                 1.1001
 Frc consts  --      6.1206                 5.9872                 6.1497
 IR Inten    --      1.0410                24.0052                55.3971
 RamAct Fr= 1--     38.1926               274.4136               149.7735
  Dep-P Fr= 1--      0.1571                 0.0206                 0.7375
  Dep-U Fr= 1--      0.2716                 0.0403                 0.8489
 Alpha2 Fr= 1--      0.5798                 5.8110                 0.0320
 Beta2  Fr= 1--      1.7287                 1.8454                21.1908
 AlphaG Fr= 1--      0.4531                 0.5436                 0.2603
 Gamma2 Fr= 1--      6.8980                 2.4194                 0.7785
 Delta2 Fr= 1--      1.8184                 4.3204                -0.6926
 Raman1 Fr= 1--     152.771               1097.654                599.094
 ROA1   Fr= 1--     720.400                370.515                 52.568
 CID1   Fr= 1--       4.716                  0.338                  0.088
 Raman2 Fr= 1--      20.745                 22.145                254.289
 ROA2   Fr= 1--     151.006                 23.502                 24.224
 CID2   Fr= 1--       7.279                  1.061                  0.095
 Raman3 Fr= 1--      41.489                 44.290                508.578
 ROA3   Fr= 1--     720.400                370.515                 52.568
 CID3   Fr= 1--      17.364                  8.366                  0.103
 RC180  Fr= 1--      -0.457                 -0.919                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.01    -0.01  -0.00  -0.01     0.00  -0.00   0.01
     2   6     0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.00   0.01
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.03   0.02    -0.00  -0.01  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.00  -0.00  -0.00
     8   6     0.01   0.01  -0.01    -0.03  -0.03   0.04     0.00   0.00  -0.00
     9   1    -0.07   0.02  -0.09     0.09  -0.02   0.12    -0.08   0.02  -0.10
    10   1    -0.01  -0.03   0.00     0.01   0.05  -0.01     0.01   0.03  -0.00
    11   1     0.00   0.00  -0.01    -0.01  -0.01   0.08     0.01   0.01  -0.06
    12   1     0.01   0.00   0.00    -0.01  -0.00  -0.01     0.00   0.00   0.00
    13   1    -0.00  -0.01  -0.00     0.01   0.02   0.01    -0.00  -0.01  -0.00
    14   1     0.01   0.04   0.03    -0.06  -0.34  -0.26     0.01   0.06   0.05
    15   6     0.02  -0.06  -0.03     0.01  -0.02  -0.01     0.02  -0.05  -0.02
    16   6    -0.02   0.05   0.03    -0.00   0.01  -0.00     0.02  -0.06  -0.03
    17   1     0.05  -0.05  -0.01    -0.11   0.09   0.02    -0.01   0.01   0.00
    18   1     0.06   0.00   0.05    -0.25  -0.01  -0.19    -0.00   0.00  -0.00
    19   1    -0.15  -0.10   0.07     0.58   0.40  -0.29    -0.02  -0.01   0.01
    20   1    -0.01  -0.02  -0.01     0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    21   1     0.08   0.53   0.03     0.02   0.14   0.01     0.07   0.49   0.02
    22   1    -0.31   0.16   0.29    -0.12   0.06   0.11    -0.28   0.15   0.27
    23   1    -0.01   0.03  -0.02     0.01  -0.02   0.05     0.01  -0.03   0.03
    24   1     0.32  -0.16  -0.30     0.01  -0.00  -0.01    -0.35   0.17   0.33
    25   1    -0.05  -0.45  -0.02    -0.01  -0.13  -0.01     0.06   0.53   0.02
    26   1     0.00   0.00  -0.00     0.02   0.03  -0.04     0.03   0.02  -0.03
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3082.0770              3106.8518              3124.0599
 Red. masses --      1.0982                 1.0993                 1.0949
 Frc consts  --      6.1464                 6.2516                 6.2962
 IR Inten    --     40.9448                30.7331                20.9817
 RamAct Fr= 1--    104.1418                29.7868                47.8945
  Dep-P Fr= 1--      0.7259                 0.7112                 0.5237
  Dep-U Fr= 1--      0.8412                 0.8312                 0.6874
 Alpha2 Fr= 1--      0.0431                 0.0200                 0.2108
 Beta2  Fr= 1--     14.6002                 4.1266                 5.4871
 AlphaG Fr= 1--      0.3207                 0.0190                 0.0274
 Gamma2 Fr= 1--    -17.4312                 5.2515                -7.1279
 Delta2 Fr= 1--    -26.7519                 6.6664                -0.8280
 Raman1 Fr= 1--     416.567                119.147                191.578
 ROA1   Fr= 1--   -2529.459                717.467               -710.771
 CID1   Fr= 1--      -6.072                  6.022                 -3.710
 Raman2 Fr= 1--     175.203                 49.519                 65.845
 ROA2   Fr= 1--    -204.334                 72.705               -164.444
 CID2   Fr= 1--      -1.166                  1.468                 -2.497
 Raman3 Fr= 1--     350.406                 99.038                131.690
 ROA3   Fr= 1--   -2529.459                717.467               -710.771
 CID3   Fr= 1--      -7.219                  7.244                 -5.397
 RC180  Fr= 1--       0.682                  0.662                  0.375
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.07    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.01   0.03  -0.04     0.00   0.00  -0.00     0.00   0.00  -0.01
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     8   6     0.00   0.01  -0.01     0.03   0.01   0.01     0.00   0.00   0.00
     9   1     0.44  -0.11   0.58     0.01  -0.00   0.02     0.00  -0.00   0.00
    10   1    -0.06  -0.27   0.04    -0.00  -0.01   0.00    -0.00  -0.02   0.00
    11   1    -0.08  -0.05   0.44    -0.00  -0.00   0.02    -0.01  -0.01   0.06
    12   1    -0.02  -0.00  -0.01    -0.00  -0.00  -0.00     0.01   0.00   0.00
    13   1     0.00   0.01   0.01     0.00   0.00   0.00    -0.00  -0.01  -0.00
    14   1     0.00   0.01   0.00    -0.00  -0.01  -0.01    -0.00   0.00   0.00
    15   6     0.01  -0.01  -0.00    -0.00   0.00  -0.00    -0.08  -0.02  -0.02
    16   6     0.00  -0.01   0.00     0.00   0.04  -0.07     0.00  -0.00   0.00
    17   1     0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    18   1     0.08   0.00   0.06    -0.18  -0.00  -0.15    -0.03  -0.00  -0.03
    19   1    -0.11  -0.07   0.05    -0.16  -0.11   0.09    -0.00  -0.00   0.00
    20   1    -0.03  -0.01  -0.01     0.03   0.00   0.01     0.87   0.16   0.34
    21   1     0.02   0.09   0.00    -0.00  -0.01   0.00     0.01   0.20   0.01
    22   1    -0.07   0.04   0.07     0.00  -0.00  -0.00     0.13  -0.09  -0.15
    23   1    -0.01   0.01  -0.04     0.17  -0.34   0.79    -0.01   0.01  -0.03
    24   1    -0.03   0.01   0.03    -0.16   0.09   0.13     0.01  -0.01  -0.01
    25   1     0.01   0.07   0.00    -0.02  -0.27  -0.03     0.00   0.01   0.00
    26   1    -0.18  -0.17   0.20    -0.01  -0.01   0.02    -0.01  -0.01   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3130.9059              3132.5168              3208.6358
 Red. masses --      1.0594                 1.0991                 1.1156
 Frc consts  --      6.1187                 6.3542                 6.7668
 IR Inten    --     13.5339                35.1908                14.7400
 RamAct Fr= 1--    134.3163               147.4666                98.3342
  Dep-P Fr= 1--      0.1037                 0.4019                 0.7488
  Dep-U Fr= 1--      0.1879                 0.5733                 0.8563
 Alpha2 Fr= 1--      2.3306                 1.0850                 0.0020
 Beta2  Fr= 1--      4.2057                14.0915                14.0347
 AlphaG Fr= 1--      0.0871                 0.2048                 0.0356
 Gamma2 Fr= 1--      7.6648               -10.4423                 3.1491
 Delta2 Fr= 1--      2.6971                -6.7250                 5.1063
 Raman1 Fr= 1--     537.265                589.866                393.337
 ROA1   Fr= 1--     822.124              -1217.655                465.716
 CID1   Fr= 1--       1.530                 -2.064                  1.184
 Raman2 Fr= 1--      50.469                169.097                168.416
 ROA2   Fr= 1--     162.378               -196.814                 34.729
 CID2   Fr= 1--       3.217                 -1.164                  0.206
 Raman3 Fr= 1--     100.937                338.195                336.832
 ROA3   Fr= 1--     822.124              -1217.655                465.716
 CID3   Fr= 1--       8.145                 -3.600                  1.383
 RC180  Fr= 1--      -0.624                  0.147                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.04   0.05  -0.00     0.00  -0.00   0.00    -0.06  -0.05  -0.05
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.01  -0.00  -0.00    -0.08  -0.02  -0.03    -0.00  -0.00   0.00
     9   1     0.02  -0.00   0.03    -0.01   0.00  -0.01     0.01   0.00   0.01
    10   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   1    -0.00  -0.00   0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
    12   1     0.64   0.03   0.34    -0.07  -0.00  -0.03     0.60   0.01   0.31
    13   1    -0.18  -0.57  -0.32     0.02   0.06   0.03     0.17   0.62   0.34
    14   1    -0.00  -0.02  -0.02     0.01   0.05   0.03     0.00   0.01   0.01
    15   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    16   6    -0.00   0.00  -0.00    -0.00   0.01  -0.02     0.00  -0.00  -0.00
    17   1     0.00  -0.00  -0.00     0.04  -0.03  -0.01    -0.00   0.00   0.00
    18   1     0.06   0.00   0.05     0.67   0.02   0.55     0.00   0.00   0.00
    19   1     0.03   0.02  -0.02     0.26   0.19  -0.15     0.00   0.00  -0.00
    20   1    -0.01  -0.00  -0.00     0.05   0.01   0.02    -0.00  -0.00   0.00
    21   1    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.00   0.00
    22   1    -0.00   0.00   0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    23   1     0.01  -0.01   0.03     0.05  -0.11   0.26     0.00  -0.00   0.00
    24   1    -0.01   0.00   0.00    -0.04   0.02   0.03    -0.00   0.00   0.00
    25   1    -0.00  -0.01  -0.00    -0.01  -0.06  -0.01     0.00   0.00   0.00
    26   1     0.01   0.01  -0.01     0.01   0.01  -0.01    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   944.331911390.196371562.83469
           X            0.99966   0.02350   0.01099
           Y           -0.02339   0.99967  -0.01059
           Z           -0.01124   0.01033   0.99988
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09172     0.06230     0.05542
 Rotational constants (GHZ):           1.91113     1.29819     1.15479
 Zero-point vibrational energy     619879.3 (Joules/Mol)
                                  148.15471 (Kcal/Mol)
 Warning -- explicit consideration of  14 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    153.82   239.68   274.86   303.57   332.68
          (Kelvin)            428.44   516.70   554.20   567.20   604.34
                              656.32   691.04   768.41   886.30   934.66
                             1056.77  1118.88  1150.33  1199.73  1243.57
                             1284.47  1308.85  1322.86  1354.07  1376.84
                             1396.23  1428.03  1456.48  1486.20  1534.58
                             1554.54  1587.02  1629.07  1685.62  1747.80
                             1763.37  1772.08  1791.24  1819.60  1854.42
                             1860.89  1895.74  1909.30  1942.24  1976.69
                             2022.22  2048.38  2096.03  2127.04  2136.81
                             2139.47  2161.93  2165.66  2180.44  2191.93
                             2462.21  4350.53  4355.45  4358.81  4370.92
                             4393.95  4408.85  4412.02  4422.79  4424.26
                             4431.79  4434.42  4470.07  4494.83  4504.68
                             4506.99  4616.51
 
 Zero-point correction=                           0.236100 (Hartree/Particle)
 Thermal correction to Energy=                    0.245687
 Thermal correction to Enthalpy=                  0.246631
 Thermal correction to Gibbs Free Energy=         0.202543
 Sum of electronic and zero-point Energies=           -390.609186
 Sum of electronic and thermal Energies=              -390.599599
 Sum of electronic and thermal Enthalpies=            -390.598655
 Sum of electronic and thermal Free Energies=         -390.642743
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  154.171             39.692             92.792
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.108
 Vibrational            152.394             33.730             23.047
 Vibration     1          0.606              1.944              3.324
 Vibration     2          0.624              1.884              2.474
 Vibration     3          0.634              1.852              2.218
 Vibration     4          0.643              1.824              2.035
 Vibration     5          0.653              1.793              1.869
 Vibration     6          0.691              1.678              1.429
 Vibration     7          0.734              1.556              1.126
 Vibration     8          0.754              1.502              1.019
 Vibration     9          0.761              1.483              0.984
 Vibration    10          0.783              1.427              0.892
 Vibration    11          0.814              1.347              0.777
 Vibration    12          0.837              1.294              0.709
 Vibration    13          0.889              1.175              0.578
 Vibration    14          0.976              0.998              0.423
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.686932D-93        -93.163087       -214.515934
 Total V=0       0.272318D+16         15.435076         35.540576
 Vib (Bot)       0.214610-106       -106.668351       -245.612954
 Vib (Bot)    1  0.191691D+01          0.282602          0.650715
 Vib (Bot)    2  0.121108D+01          0.083172          0.191510
 Vib (Bot)    3  0.104727D+01          0.020059          0.046187
 Vib (Bot)    4  0.940963D+00         -0.026427         -0.060851
 Vib (Bot)    5  0.851348D+00         -0.069893         -0.160934
 Vib (Bot)    6  0.639440D+00         -0.194200         -0.447163
 Vib (Bot)    7  0.510674D+00         -0.291857         -0.672024
 Vib (Bot)    8  0.467690D+00         -0.330042         -0.759950
 Vib (Bot)    9  0.454024D+00         -0.342921         -0.789605
 Vib (Bot)   10  0.418024D+00         -0.378799         -0.872216
 Vib (Bot)   11  0.374048D+00         -0.427073         -0.983372
 Vib (Bot)   12  0.348128D+00         -0.458261         -1.055184
 Vib (Bot)   13  0.298314D+00         -0.525326         -1.209608
 Vib (Bot)   14  0.238398D+00         -0.622697         -1.433813
 Vib (V=0)       0.850770D+02          1.929812          4.443556
 Vib (V=0)    1  0.248105D+01          0.394635          0.908681
 Vib (V=0)    2  0.181023D+01          0.257734          0.593455
 Vib (V=0)    3  0.166051D+01          0.220241          0.507123
 Vib (V=0)    4  0.156556D+01          0.194669          0.448242
 Vib (V=0)    5  0.148732D+01          0.172403          0.396973
 Vib (V=0)    6  0.131172D+01          0.117840          0.271336
 Vib (V=0)    7  0.121469D+01          0.084467          0.194492
 Vib (V=0)    8  0.118464D+01          0.073587          0.169440
 Vib (V=0)    9  0.117538D+01          0.070178          0.161591
 Vib (V=0)   10  0.115172D+01          0.061348          0.141260
 Vib (V=0)   11  0.112443D+01          0.050932          0.117275
 Vib (V=0)   12  0.110926D+01          0.045032          0.103690
 Vib (V=0)   13  0.108223D+01          0.034319          0.079023
 Vib (V=0)   14  0.105393D+01          0.022810          0.052522
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.512746D+06          5.709903         13.147536
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000025159    0.000017921   -0.000012380
      2        6          -0.000023889   -0.000003420    0.000008741
      3        6          -0.000037515   -0.000049987    0.000003120
      4        6          -0.000004542    0.000002315   -0.000002472
      5        6           0.000012908   -0.000005662   -0.000013853
      6        6          -0.000024859   -0.000004144    0.000036309
      7        6           0.000031491   -0.000012247    0.000008470
      8        6          -0.000013169    0.000046462    0.000004426
      9        1           0.000002231    0.000002004    0.000003128
     10        1          -0.000000709   -0.000001605   -0.000001808
     11        1          -0.000000548    0.000006995   -0.000004807
     12        1           0.000000252    0.000000639   -0.000000238
     13        1           0.000003325   -0.000001877   -0.000000345
     14        1           0.000001029   -0.000001614   -0.000001692
     15        6          -0.000009989    0.000001984   -0.000007870
     16        6           0.000018141    0.000005119    0.000012653
     17        1           0.000002319    0.000002369    0.000000515
     18        1           0.000004113   -0.000005354   -0.000003459
     19        1           0.000003146    0.000000172    0.000000214
     20        1           0.000015423    0.000002963   -0.000003497
     21        1           0.000002986    0.000000913   -0.000006207
     22        1           0.000001583   -0.000001355   -0.000000782
     23        1           0.000005142   -0.000005839   -0.000003317
     24        1          -0.000004325    0.000001776   -0.000003870
     25        1          -0.000004694    0.000001216   -0.000004207
     26        1          -0.000005010    0.000000254   -0.000006772
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000049987 RMS     0.000012927
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.132757D+03 -0.829223D+01  0.182114D+00
      2  -0.829223D+01  0.123722D+03  0.109994D+01
      3   0.182114D+00  0.109994D+01  0.107602D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.411295D+01 -0.424508D+01  0.332013D+01
      2   0.833663D+01  0.227277D+01 -0.754833D+01
      3   0.107415D+02 -0.101614D+02 -0.677484D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.135450D+02 -0.323687D+02  0.382215D+01
      2   0.198497D+02 -0.861014D+01 -0.746221D+01
      3  -0.333947D+02  0.409789D+02  0.364006D+01
      4  -0.789831D+02  0.617819D+02  0.139512D+02
      5   0.497876D+01  0.203527D+02 -0.211967D+02
      6   0.104111D+02 -0.444447D+01 -0.145928D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.189473D+01 -0.215874D+01 -0.175931D+01 -0.955885D+00  0.139208D+01
      2  -0.215874D+01 -0.142412D+01  0.104535D+01  0.139208D+01 -0.401935D+01
      3  -0.175931D+01  0.104535D+01 -0.268148D+01  0.195132D+01  0.129209D+01
                 6             7             8             9            10 
      1   0.195132D+01 -0.364631D+01  0.198024D+01 -0.369292D+01 -0.898155D-01
      2   0.129209D+01  0.198024D+01  0.283963D+01 -0.975451D+00  0.239360D+01
      3   0.400374D-01 -0.369292D+01 -0.975451D+00 -0.597244D+00  0.166675D+01
                11            12            13            14            15 
      1   0.239360D+01  0.166675D+01  0.210838D+01 -0.348626D+01 -0.133598D+00
      2  -0.354994D+01 -0.240421D-01 -0.348626D+01 -0.707196D+01  0.503811D+00
      3  -0.240421D-01  0.200366D+01 -0.133598D+00  0.503811D+00  0.103627D+01
                16            17            18            19            20 
      1   0.252941D+01  0.180179D+00  0.191237D+01 -0.141191D+02  0.103470D+02
      2   0.180179D+00  0.161973D+01 -0.263908D+00  0.103470D+02 -0.892697D+01
      3   0.191237D+01 -0.263908D+00 -0.596336D+01  0.365738D+01 -0.293908D+00
                21            22            23            24            25 
      1   0.365738D+01  0.105830D+02 -0.888418D+01 -0.213429D+01  0.283490D+00
      2  -0.293908D+00 -0.888418D+01  0.114555D+02 -0.242072D+01  0.481309D+00
      3  -0.210989D+01 -0.213429D+01 -0.242072D+01  0.310249D+01 -0.761299D+00
                26            27            28            29            30 
      1   0.481309D+00 -0.761299D+00  0.788450D+01 -0.724069D+01 -0.621504D+01
      2  -0.169347D+01  0.795357D+00 -0.724069D+01  0.839322D+01  0.242499D+01
      3   0.795357D+00  0.719093D-01 -0.621504D+01  0.242499D+01  0.311589D+01
                31            32            33            34            35 
      1  -0.109842D+02  0.929090D+01  0.106967D+01 -0.699903D+01  0.143999D+01
      2   0.929090D+01 -0.963164D+01  0.423190D+01  0.143999D+01  0.518566D+01
      3   0.106967D+01  0.423190D+01 -0.311505D+01  0.366474D+01 -0.323834D+01
                36            37            38            39            40 
      1   0.366474D+01  0.130501D+02 -0.634363D+01 -0.420328D+01 -0.264369D+01
      2  -0.323834D+01 -0.634363D+01  0.413175D+01 -0.880677D+00  0.294141D+01
      3  -0.106100D+01 -0.420328D+01 -0.880677D+00  0.293039D+01 -0.899314D+00
                41            42            43            44            45 
      1   0.294141D+01 -0.899314D+00 -0.824879D+01  0.651543D+00  0.320522D+01
      2   0.116494D+01  0.601790D+01  0.651543D+00  0.495372D+01  0.143424D+01
      3   0.601790D+01  0.608948D+00  0.320522D+01  0.143424D+01 -0.150719D+01
                46            47            48            49            50 
      1  -0.522387D+01  0.366113D+01  0.662011D+01  0.481391D+01 -0.544344D+01
      2   0.366113D+01 -0.326200D+01  0.171385D+00 -0.544344D+01 -0.802712D+01
      3   0.662011D+01  0.171385D+00 -0.260791D+01 -0.173405D+00 -0.738411D+00
                51            52            53            54            55 
      1  -0.173405D+00  0.129542D+02 -0.240229D+01 -0.287157D+01  0.219522D+01
      2  -0.738411D+00 -0.240229D+01  0.154616D+01  0.269982D+01 -0.363519D+01
      3   0.197550D+01 -0.287157D+01  0.269982D+01 -0.106797D+01 -0.259450D+01
                56            57            58            59            60 
      1  -0.363519D+01 -0.259450D+01 -0.337814D+01  0.667803D+01  0.193238D-01
      2   0.603824D+01 -0.941633D-01  0.667803D+01  0.431048D+01 -0.252530D+01
      3  -0.941633D-01 -0.140206D+01  0.193238D-01 -0.252530D+01  0.223497D+01
                61            62            63            64            65 
      1  -0.265788D+01 -0.794682D+00 -0.153557D+01  0.803437D-01 -0.988312D+00
      2  -0.794682D+00 -0.337216D+01  0.203473D+00 -0.988312D+00 -0.401826D+01
      3  -0.153557D+01  0.203473D+00  0.510688D+01  0.433422D+01  0.283235D+01
                66            67            68            69            70 
      1   0.433422D+01  0.107819D+01 -0.445425D+01  0.334333D+01  0.368310D+01
      2   0.283235D+01 -0.445425D+01  0.412888D+01 -0.117172D+01  0.185039D+01
      3   0.173207D+01  0.334333D+01 -0.117172D+01 -0.289062D+01  0.139634D+01
                71            72            73            74            75 
      1   0.185039D+01  0.139634D+01  0.453966D+01  0.621186D+00  0.262940D+01
      2  -0.425083D+00 -0.244306D+01  0.621186D+00  0.129060D+01  0.502410D+00
      3  -0.244306D+01 -0.124884D+01  0.262940D+01  0.502410D+00  0.242551D+01
                76            77            78            79            80 
      1  -0.775428D+00  0.711533D+00 -0.571215D+00  0.398124D+01  0.246598D+00
      2   0.711533D+00 -0.310095D-01  0.547580D+00  0.246598D+00  0.568859D+00
      3  -0.571215D+00  0.547580D+00 -0.321671D+00  0.335512D+01  0.861148D+00
                81            82            83            84            85 
      1   0.335512D+01  0.897334D+00  0.147325D+01 -0.751310D-01  0.151370D+01
      2   0.861148D+00  0.147325D+01  0.190178D+01  0.220919D+00  0.223354D+01
      3   0.430218D+01 -0.751310D-01  0.220919D+00 -0.118848D+00  0.271720D+00
                86            87            88            89            90 
      1   0.223354D+01  0.271720D+00 -0.678612D+00 -0.244634D+00 -0.105183D-01
      2   0.122415D+02  0.901271D+00 -0.244634D+00 -0.146288D+01  0.119923D+01
      3   0.901271D+00  0.964875D+00 -0.105183D-01  0.119923D+01  0.500830D+00
                91            92            93            94            95 
      1  -0.772310D+00 -0.124236D+00  0.952680D+00 -0.395607D+00 -0.105769D-02
      2  -0.124236D+00  0.815123D-01 -0.295873D+00 -0.105769D-02  0.691314D+00
      3   0.952680D+00 -0.295873D+00 -0.128292D+01  0.106773D-01  0.951840D+00
                96            97            98            99           100 
      1   0.106773D-01  0.126970D+01 -0.278972D-01 -0.916944D+00  0.957553D+01
      2   0.951840D+00 -0.278972D-01  0.158748D+01  0.191730D+01 -0.260677D+01
      3  -0.153457D+00 -0.916944D+00  0.191730D+01  0.876590D+01  0.308533D+01
               101           102           103           104           105 
      1  -0.260677D+01  0.308533D+01 -0.738690D+00  0.154868D+01  0.499151D+00
      2   0.181942D+01 -0.872942D+00  0.154868D+01 -0.167165D+01 -0.268971D+00
      3  -0.872942D+00  0.146124D+01  0.499151D+00 -0.268971D+00  0.433144D-01
               106           107           108           109           110 
      1   0.546114D+01 -0.870088D+00  0.144320D+01  0.117502D+01 -0.119187D+01
      2  -0.870088D+00 -0.583726D-01  0.153992D-02 -0.119187D+01 -0.843973D+00
      3   0.144320D+01  0.153992D-02  0.102057D+01  0.182648D+00 -0.113210D+01
               111           112           113           114           115 
      1   0.182648D+00 -0.150443D+01  0.153391D+01  0.429440D+00  0.735340D-01
      2  -0.113210D+01  0.153391D+01 -0.846245D+01 -0.316441D+01 -0.132038D+00
      3  -0.590556D+00  0.429440D+00 -0.316441D+01 -0.182738D+01 -0.258344D+00
               116           117           118           119           120 
      1  -0.132038D+00 -0.258344D+00 -0.602653D+00 -0.924091D+00 -0.486406D+00
      2  -0.427003D+01 -0.161445D+01 -0.924091D+00 -0.961916D+00 -0.445831D+00
      3  -0.161445D+01 -0.123871D+01 -0.486406D+00 -0.445831D+00 -0.756918D+00
               121           122           123           124           125 
      1  -0.165449D+01 -0.563082D+00 -0.549875D+00  0.137915D+00 -0.522226D+00
      2  -0.563082D+00 -0.554392D+01 -0.347360D+01 -0.522226D+00 -0.267837D+01
      3  -0.549875D+00 -0.347360D+01 -0.296483D+01 -0.594991D+00 -0.281890D+01
               126           127           128           129           130 
      1  -0.594991D+00 -0.252140D+01 -0.157966D+01 -0.502831D+01 -0.205333D+01
      2  -0.281890D+01 -0.157966D+01  0.133569D+01  0.135545D+00  0.221161D+01
      3  -0.363781D+01 -0.502831D+01  0.135545D+00  0.233769D+01  0.623915D+00
               131           132           133           134           135 
      1   0.221161D+01  0.623915D+00 -0.474614D+01  0.508446D+00  0.232423D+01
      2   0.709097D+01 -0.940201D+00  0.508446D+00  0.226765D+00 -0.275389D+01
      3  -0.940201D+00 -0.309835D+01  0.232423D+01 -0.275389D+01 -0.207277D-01
               136           137           138           139           140 
      1   0.325821D+00 -0.254543D+01 -0.463693D+01 -0.398316D+01  0.375557D+01
      2  -0.254543D+01  0.131132D+01  0.650187D-01  0.375557D+01  0.710454D+01
      3  -0.463693D+01  0.650187D-01  0.202270D+01  0.261745D+00  0.107858D+01
               141           142           143           144           145 
      1   0.261745D+00 -0.678696D+01  0.109927D+01  0.341841D+01 -0.635159D+01
      2   0.107858D+01  0.109927D+01  0.269675D+00 -0.258482D+01  0.450069D+01
      3  -0.298514D+01  0.341841D+01 -0.258482D+01  0.288211D+01  0.101290D+01
               146           147           148           149           150 
      1   0.450069D+01  0.101290D+01  0.334024D+01 -0.392688D+01 -0.216394D+00
      2  -0.476639D+01 -0.593183D+00 -0.392688D+01  0.531982D+01  0.931534D+00
      3  -0.593183D+00 -0.813928D+00 -0.216394D+00  0.931534D+00  0.652553D+00
               151           152           153           154           155 
      1   0.110170D+01 -0.383373D+00 -0.934849D+00 -0.463167D+01  0.895382D+00
      2  -0.383373D+00  0.112512D+01  0.125195D+01  0.895382D+00 -0.100684D+01
      3  -0.934849D+00  0.125195D+01  0.376837D+00 -0.338638D+01  0.710100D+00
               156           157           158           159           160 
      1  -0.338638D+01 -0.320430D+00 -0.431910D+00  0.875286D-01 -0.291195D+01
      2   0.710100D+00 -0.431910D+00  0.118436D+00 -0.736088D+00  0.632180D+00
      3  -0.405231D+01  0.875286D-01 -0.736088D+00  0.420321D+00 -0.336025D+01
               161           162           163           164           165 
      1   0.632180D+00 -0.336025D+01  0.302067D+01  0.204589D+01 -0.258989D+01
      2  -0.997268D+00  0.123990D+01  0.204589D+01  0.281925D+01 -0.224655D+01
      3   0.123990D+01 -0.556757D+01 -0.258989D+01 -0.224655D+01  0.311234D+01
               166           167           168           169           170 
      1   0.108745D+01  0.199050D+01 -0.129772D+01 -0.118600D+01 -0.111448D+01
      2   0.199050D+01  0.296562D+01 -0.221149D+01 -0.111448D+01 -0.148405D+01
      3  -0.129772D+01 -0.221149D+01  0.250245D+01  0.132715D+01  0.221965D+01
               171           172           173           174           175 
      1   0.132715D+01  0.529093D+01  0.644939D+00  0.177446D+01  0.844260D+00
      2   0.221965D+01  0.644939D+00  0.904632D+00 -0.228270D+00  0.462964D+00
      3  -0.347335D+01  0.177446D+01 -0.228270D+00  0.272510D+01 -0.704781D-01
               176           177           178           179           180 
      1   0.462964D+00 -0.704781D-01  0.159288D+01  0.529159D-01  0.148298D+01
      2  -0.331816D+00  0.425567D+00  0.529159D-01  0.368144D+00  0.178032D+00
      3   0.425567D+00  0.583384D+00  0.148298D+01  0.178032D+00  0.212110D+01
               181           182           183           184           185 
      1  -0.449627D+00 -0.991385D+00  0.770003D+00 -0.135425D+01 -0.184758D+01
      2  -0.991385D+00 -0.100516D+01  0.179855D+00 -0.184758D+01 -0.883234D+01
      3   0.770003D+00  0.179855D+00 -0.611791D+00  0.452066D+00  0.230395D+01
               186           187           188           189           190 
      1   0.452066D+00  0.214536D+00 -0.142345D+00 -0.373130D+00 -0.382332D+01
      2   0.230395D+01 -0.142345D+00 -0.579021D-01 -0.720508D+00  0.506200D+00
      3  -0.182335D+01 -0.373130D+00 -0.720508D+00  0.408644D+00  0.362080D+01
               191           192           193           194           195 
      1   0.506200D+00  0.362080D+01  0.156325D+01 -0.961471D+00 -0.126667D+01
      2  -0.106542D+01 -0.205520D+00 -0.961471D+00  0.222318D+00  0.103300D+01
      3  -0.205520D+00 -0.425570D+01 -0.126667D+01  0.103300D+01  0.238971D+01
               196           197           198           199           200 
      1   0.254766D+01 -0.247156D+00 -0.321850D+01 -0.141126D+01  0.761701D+00
      2  -0.247156D+00  0.616830D+00  0.777359D+00  0.761701D+00 -0.348433D+00
      3  -0.321850D+01  0.777359D+00  0.572036D+01 -0.119046D+01  0.312650D+00
               201           202           203           204           205 
      1  -0.119046D+01  0.175637D+01 -0.713815D+00  0.589895D+00 -0.256955D+01
      2   0.312650D+00 -0.713815D+00  0.333352D+00 -0.117076D+01  0.406571D-01
      3  -0.163425D+01  0.589895D+00 -0.117076D+01  0.175166D+01 -0.275667D+01
               206           207           208           209           210 
      1   0.406571D-01 -0.275667D+01 -0.762678D+01  0.103636D+01  0.275519D+01
      2  -0.130115D+01  0.137384D+01  0.103636D+01 -0.863879D+00 -0.518065D+00
      3   0.137384D+01 -0.577942D+01  0.275519D+01 -0.518065D+00 -0.180068D+01
               211           212           213           214           215 
      1   0.339158D+01 -0.181947D+01 -0.887503D+00  0.610137D+01 -0.687398D+00
      2  -0.181947D+01  0.291258D+00  0.583876D+00 -0.687398D+00  0.927393D+00
      3  -0.887503D+00  0.583876D+00  0.107647D+01 -0.291518D+01  0.739864D+00
               216           217           218           219           220 
      1  -0.291518D+01 -0.133651D+01 -0.101623D+01  0.202448D+00 -0.326472D+01
      2   0.739864D+00 -0.101623D+01 -0.856098D+00 -0.554143D-01 -0.386414D+01
      3   0.226865D+01  0.202448D+00 -0.554143D-01 -0.192340D+00 -0.550894D+00
               221           222           223           224           225 
      1  -0.386414D+01 -0.550894D+00  0.407050D+00 -0.253596D+00 -0.937910D+00
      2  -0.845806D+01 -0.807864D+00 -0.253596D+00 -0.440955D+00 -0.782051D+00
      3  -0.807864D+00 -0.955954D+00 -0.937910D+00 -0.782051D+00 -0.489121D+00
               226           227           228           229           230 
      1   0.281952D+01  0.245894D+01 -0.109867D+01  0.192609D+01  0.164680D+01
      2   0.245894D+01  0.287199D+01 -0.714042D+00  0.164680D+01  0.464243D+01
      3  -0.109867D+01 -0.714042D+00  0.104499D+01 -0.858425D+00 -0.117336D+01
               231           232           233           234 
      1  -0.858425D+00 -0.190768D+01 -0.134151D+01  0.160888D+01
      2  -0.117336D+01 -0.134151D+01 -0.359348D+01  0.130269D+01
      3   0.752845D+00  0.160888D+01  0.130269D+01 -0.189364D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.206691D+01 -0.197977D+01  0.308915D+01  0.694838D+00 -0.396126D+01
      2  -0.695101D+01  0.745374D+01 -0.485398D+01  0.662243D+01  0.533548D+01
      3   0.912523D+01 -0.899547D+01 -0.734716D+01 -0.307972D+01  0.597420D+01
                 6             7             8             9            10 
      1  -0.982241D+00  0.384387D+01  0.100733D+02  0.304448D+01 -0.200439D+01
      2  -0.314893D+00 -0.102658D+02 -0.627836D+01 -0.949415D-01  0.211915D+01
      3  -0.180201D+01 -0.105312D+02 -0.297791D+01 -0.303647D+01 -0.988313D+00
                11            12            13            14            15 
      1  -0.330106D+01 -0.455072D+01 -0.317043D+01 -0.115029D+02 -0.426407D+01
      2  -0.237062D+01  0.551820D-01 -0.334319D+01  0.244751D+01  0.821318D+00
      3   0.857985D+01  0.496449D+01  0.122131D+02 -0.557295D+01 -0.263891D+00
                16            17            18            19            20 
      1  -0.530100D+01  0.573230D+01  0.158815D+02 -0.211654D+01  0.272740D+01
      2  -0.496391D+01  0.577393D+00 -0.567971D+01  0.200891D+01  0.737730D+01
      3   0.690669D+01  0.420034D+00  0.323730D+01  0.435939D+01 -0.152497D+01
                21            22            23            24            25 
      1  -0.716814D+01 -0.163852D+01 -0.951228D+01  0.793373D+01 -0.890898D+01
      2  -0.608231D+01  0.273774D+01 -0.814436D+01  0.889005D+01 -0.145049D+02
      3  -0.529026D+01  0.115189D+02 -0.179721D+02  0.867486D+01  0.100541D+01
                26            27            28            29            30 
      1   0.143691D+02  0.217078D+01 -0.927877D+01 -0.733367D+00  0.631036D+01
      2   0.744490D+01 -0.201007D+01 -0.848792D+01  0.378772D+01  0.805844D+01
      3   0.303132D+01  0.760813D-01  0.846839D+01 -0.146941D+02  0.468702D+01
                31            32            33            34            35 
      1  -0.332270D+01  0.118190D+02 -0.952068D+01  0.182308D+01 -0.260825D+00
      2  -0.248235D+01  0.162913D+02 -0.926946D+01 -0.149543D+01 -0.427217D+01
      3  -0.331541D+00  0.523882D+01 -0.130541D+02  0.942683D+01 -0.175099D+02
                36            37            38            39            40 
      1   0.293793D+01 -0.952283D+00 -0.223163D+01  0.327603D+01 -0.473627D+01
      2  -0.247788D+01  0.124636D+02 -0.839120D+01 -0.267957D+01 -0.367687D+01
      3   0.204661D+01 -0.235688D+01  0.291325D+00  0.171211D+01  0.899997D+01
                41            42            43            44            45 
      1   0.827237D+01 -0.969601D+01  0.683098D+01 -0.489720D+01 -0.282164D+01
      2   0.357663D+01 -0.216454D+01 -0.176006D+02  0.505467D+01  0.402363D+01
      3  -0.464909D+01 -0.190163D+01  0.272124D+01  0.746689D+00 -0.233622D+01
                46            47            48            49            50 
      1   0.422173D+01 -0.439594D+00 -0.174320D+01 -0.188779D+01 -0.437192D+01
      2  -0.154036D+02  0.178000D+01  0.959598D+01  0.381349D+01 -0.107644D+01
      3   0.483239D+01 -0.112353D+02 -0.235781D+01 -0.173578D+01 -0.151442D+02
                51            52            53            54            55 
      1  -0.107890D+01 -0.409669D+01  0.815304D+01  0.104092D+01  0.393146D+01
      2  -0.372421D+01  0.526636D+01 -0.862254D+01  0.432658D+01  0.278981D+01
      3  -0.173661D+01 -0.593657D+01  0.127427D+01  0.836489D+01 -0.350400D+01
                56            57            58            59            60 
      1   0.175679D+01  0.548588D+01  0.239342D+01  0.462914D+01 -0.497780D+01
      2   0.232300D+01  0.390029D+01  0.147818D+01  0.245811D+01 -0.167959D+01
      3  -0.428435D+01 -0.421550D+01  0.364709D+01  0.143416D+02 -0.234298D+01
                61            62            63            64            65 
      1   0.328992D+01  0.218731D+01 -0.121456D+02 -0.200050D+01  0.381185D+01
      2  -0.105456D+01 -0.232443D+01 -0.576237D+01 -0.194160D+01 -0.564978D+01
      3  -0.570806D+01 -0.453661D+01 -0.361832D+01  0.112537D+01 -0.738320D+01
                66            67            68            69            70 
      1  -0.107938D+02  0.712164D+01 -0.913164D+01  0.468360D+01 -0.761056D+01
      2   0.120563D+02 -0.281677D+01 -0.742662D+01  0.952602D+01  0.412064D+01
      3   0.819263D+01 -0.197297D+01 -0.826516D+00  0.340068D+01  0.529127D+01
                71            72            73            74            75 
      1   0.764368D+01  0.909166D+01 -0.305635D+01  0.532305D+00 -0.299949D+01
      2   0.724305D+01  0.712175D+01  0.263128D+01  0.163849D+01  0.629944D+01
      3   0.143937D+01  0.179469D+01  0.388622D+01 -0.396795D+01  0.222140D+01
                76            77            78            79            80 
      1   0.224097D+00  0.103931D+00 -0.175092D+00 -0.324739D+01  0.110256D+01
      2  -0.604841D+00  0.495800D+00 -0.927489D+00  0.317978D+01  0.223920D+01
      3  -0.243044D+00  0.221926D+01 -0.107258D+01  0.478701D+01 -0.238162D+01
                81            82            83            84            85 
      1  -0.459181D+01  0.167860D+01  0.194240D+01  0.832959D-01  0.127941D+01
      2   0.911596D+01 -0.100114D+01 -0.110827D+01  0.152926D+01 -0.177436D+01
      3   0.251281D+01  0.208331D+01 -0.508136D-01 -0.634477D+00  0.588690D+01
                86            87            88            89            90 
      1   0.978863D+01 -0.488279D+01  0.137843D+00 -0.234027D+01  0.120472D+00
      2  -0.147479D+01  0.839314D+00 -0.524853D-01  0.483974D+00  0.167998D+00
      3  -0.273659D+01  0.393277D+00 -0.195590D+01  0.648282D+00 -0.559369D+00
                91            92            93            94            95 
      1  -0.244533D+01 -0.460659D+00  0.296111D+01 -0.685617D+00 -0.143988D+01
      2   0.139244D+01  0.503085D+00 -0.640792D+00  0.120935D+01  0.641045D+00
      3  -0.223926D+01 -0.227201D+01  0.170996D+01 -0.614845D+00  0.110072D+01
                96            97            98            99           100 
      1   0.141216D+01  0.251096D+01  0.162455D+01 -0.185006D+02  0.803189D+01
      2  -0.535160D+00 -0.561269D+01  0.872915D+00  0.582784D+01  0.110944D+02
      3  -0.564171D+00  0.378436D+01 -0.727838D+00 -0.224797D+01 -0.110334D+02
               101           102           103           104           105 
      1  -0.110363D+01  0.348279D+01  0.359940D+00  0.331607D+00 -0.867486D-01
      2  -0.508208D+01  0.851488D+01  0.133907D+01 -0.140625D+01  0.470070D+00
      3  -0.309798D+01 -0.385521D+01 -0.111988D+01  0.119701D+01 -0.386294D-01
               106           107           108           109           110 
      1   0.335993D+01  0.746096D+00  0.142100D+01  0.206851D+01 -0.196616D+01
      2   0.243834D+01  0.222211D+01  0.505209D+01 -0.170967D+00 -0.289374D+01
      3  -0.925263D+01  0.110239D+01 -0.193517D+01  0.240460D+01  0.350384D+01
               111           112           113           114           115 
      1  -0.185498D+01  0.153572D+01 -0.285590D+01 -0.563251D+01 -0.210923D+01
      2  -0.891719D+00 -0.142650D+01 -0.748626D+01 -0.385720D+01 -0.841975D+00
      3   0.263191D+01  0.181679D+01  0.197784D+02  0.810072D+01  0.122257D+01
               116           117           118           119           120 
      1   0.133107D+01 -0.326764D+01  0.653718D+00  0.662488D+00 -0.719399D-01
      2  -0.500868D+01 -0.222175D+01 -0.543635D+00 -0.430786D+00  0.106968D+01
      3   0.126032D+02  0.416584D+01 -0.751151D-02 -0.109792D+01 -0.230286D+00
               121           122           123           124           125 
      1  -0.406260D+00  0.597939D+01 -0.125651D+01 -0.914988D-02  0.357709D+01
      2  -0.297494D+01 -0.207600D+00  0.318388D+00 -0.259032D+01 -0.582897D+00
      3   0.512314D+01  0.367325D-01  0.238783D+00  0.134686D+01  0.166079D+00
               126           127           128           129           130 
      1  -0.776572D+00 -0.952035D+01  0.230072D+01  0.289646D+01  0.616132D+01
      2  -0.406109D+00  0.143054D+02  0.129266D+01  0.101944D+02  0.241601D+01
      3   0.260710D+00  0.243965D+01  0.158937D+01  0.710028D+01  0.612685D+01
               131           132           133           134           135 
      1   0.153466D+02 -0.953081D+01  0.338745D+01 -0.557084D+00 -0.669860D+01
      2  -0.212288D+01  0.274698D+01  0.533291D+01  0.341537D+01 -0.441393D+01
      3   0.762226D+01 -0.120872D+01  0.697824D+01  0.233988D+00 -0.622359D+01
               136           137           138           139           140 
      1  -0.249151D+01 -0.621784D-01  0.273267D+01 -0.131189D+01 -0.153435D+01
      2   0.129911D+02 -0.205468D+01 -0.830598D+01 -0.323801D+01 -0.204961D+01
      3  -0.878312D+01  0.573746D+01  0.373468D+01  0.162257D+02  0.212193D+02
               141           142           143           144           145 
      1  -0.539929D+01  0.436313D+01 -0.927029D+00  0.425758D+01 -0.174127D+01
      2   0.958551D+01 -0.202388D+02  0.943745D+01 -0.114403D+02 -0.569944D-01
      3   0.375001D+01  0.420947D+01  0.283732D+01 -0.123226D+02 -0.742268D+01
               146           147           148           149           150 
      1   0.303673D+00  0.321194D+01  0.457560D+00 -0.147636D+01 -0.421796D+01
      2   0.668843D+00  0.358231D+01 -0.570982D+00 -0.567510D+00 -0.234817D+01
      3  -0.113558D+01  0.901584D+00  0.502400D+01  0.145949D+00  0.224648D+00
               151           152           153           154           155 
      1   0.174413D+01 -0.665547D+00 -0.627515D+00  0.313996D+01  0.301434D+01
      2  -0.346014D+00 -0.122093D+01 -0.567306D+00 -0.102300D+02  0.326402D+00
      3   0.172580D+01  0.112154D+01 -0.133962D+00 -0.607973D+01 -0.193603D+01
               156           157           158           159           160 
      1   0.431887D+01  0.102883D+01  0.131776D+01 -0.643377D+00  0.331838D+01
      2  -0.266907D+01 -0.600762D+00 -0.647920D+00 -0.826357D+00 -0.674372D+01
      3  -0.343785D+01  0.100392D+01 -0.118943D-01 -0.399156D+00 -0.333579D+01
               161           162           163           164           165 
      1   0.250696D+01  0.360177D+01 -0.175987D+01 -0.488778D+01 -0.366152D+00
      2  -0.116674D+00 -0.239854D+01  0.982044D+01  0.510339D+01 -0.414520D+01
      3  -0.120327D+01 -0.322191D+01  0.599010D+01  0.175576D+01 -0.357699D+01
               166           167           168           169           170 
      1  -0.223046D+01 -0.386430D+01 -0.147071D+01  0.400555D+00  0.246559D+01
      2   0.452601D+01  0.508246D+01 -0.322493D+01 -0.466914D+01 -0.329128D+01
      3   0.474948D+01  0.207892D+01 -0.249423D+01 -0.281825D+01 -0.454267D+00
               171           172           173           174           175 
      1   0.107445D+00  0.430182D+01  0.352597D+01  0.232381D+01  0.232433D+01
      2   0.292302D+01 -0.186350D+02 -0.182076D+01 -0.357328D+01 -0.213596D+01
      3   0.232684D+01 -0.736693D+01 -0.230990D+01 -0.259450D+01  0.532193D+00
               176           177           178           179           180 
      1   0.943107D+00  0.346672D+00  0.227195D+01  0.221794D+01  0.239032D+01
      2  -0.169400D+01 -0.650811D+00 -0.661415D+01 -0.778881D+00 -0.405932D+01
      3  -0.105549D+01 -0.226237D-01 -0.251205D+01 -0.879775D+00 -0.156847D+01
               181           182           183           184           185 
      1  -0.107740D+01 -0.187110D+01 -0.611671D+00 -0.327698D+01 -0.165253D+02
      2  -0.831220D+00  0.939804D+00  0.582673D+00  0.280466D+01 -0.422400D+00
      3  -0.130166D+01 -0.118068D+01  0.110949D+00  0.308706D+01 -0.931253D+01
               186           187           188           189           190 
      1  -0.128198D+01 -0.479516D+00  0.536538D+00 -0.109679D+01  0.543565D+01
      2   0.204587D+01 -0.970074D+00  0.230717D+00  0.359070D+00  0.406539D+01
      3   0.252892D+01 -0.219521D+00 -0.416041D+00 -0.206451D+00  0.384122D+01
               191           192           193           194           195 
      1  -0.401525D+01 -0.521965D+01 -0.309169D+01  0.221871D+01  0.349814D+01
      2  -0.110898D+01  0.681580D+00 -0.236618D+01 -0.765261D-03 -0.124971D+01
      3  -0.360685D+01 -0.366607D+01 -0.162890D+01  0.137651D+01  0.224781D+01
               196           197           198           199           200 
      1  -0.429624D+01  0.461076D+01  0.747299D+01 -0.159883D+01  0.799478D+00
      2  -0.508774D+01  0.509492D-01 -0.963598D+00  0.293099D+01 -0.735977D-01
      3  -0.298784D+01  0.229018D+01  0.388753D+01  0.290212D+01 -0.192413D+01
               201           202           203           204           205 
      1  -0.100116D+01  0.460621D+00 -0.172456D+01  0.152068D+01 -0.134751D+01
      2   0.497199D+01  0.665845D+00  0.358139D+01 -0.665217D+01  0.309062D+01
      3   0.155683D+01 -0.120981D+01  0.213021D+01 -0.415358D+01  0.109325D+01
               206           207           208           209           210 
      1   0.469211D+01 -0.534361D+01  0.188019D+01 -0.940067D+00 -0.894571D+00
      2  -0.564240D+01  0.181899D+02 -0.100133D+02  0.182847D+01  0.996371D+01
      3  -0.577075D+01  0.670592D+01  0.850464D+01 -0.648377D+01 -0.320383D+01
               211           212           213           214           215 
      1  -0.379722D+00  0.880321D+00 -0.291969D+00 -0.187585D+01  0.171543D+01
      2   0.346330D+01 -0.232462D+01 -0.452892D+01  0.859225D+01 -0.293180D+01
      3  -0.508550D+01  0.227307D+01  0.213506D+01 -0.476164D+01  0.467147D+01
               216           217           218           219           220 
      1   0.933146D+00  0.522838D+00  0.390399D+00 -0.497210D+00  0.352571D+00
      2  -0.897337D+01 -0.707724D+00 -0.291628D-01  0.192572D+01  0.485338D+00
      3   0.427428D+01 -0.270602D+01 -0.370757D+01 -0.537717D+00 -0.514305D+01
               221           222           223           224           225 
      1   0.268423D+01 -0.386498D+01 -0.508892D+00  0.497907D+00 -0.410898D+00
      2   0.119376D+01  0.376228D+01  0.177558D+01  0.137770D+01  0.118939D+01
      3  -0.244735D+02 -0.190057D+01 -0.106649D+01 -0.164967D+01 -0.140142D+01
               226           227           228           229           230 
      1   0.211011D+01  0.222444D+01 -0.239966D+01  0.165300D+01  0.303393D+01
      2  -0.354776D+01 -0.345734D+01  0.466243D+01 -0.354969D+01 -0.405141D+01
      3  -0.202749D+01 -0.242877D+01  0.869655D+00  0.259170D+01 -0.912337D+01
               231           232           233           234 
      1  -0.394289D+01 -0.163680D+01 -0.427560D+01  0.236352D+01
      2   0.294780D+01  0.347406D+01  0.456584D+01 -0.691690D+01
      3   0.134965D+01  0.586903D+00  0.592154D+01 -0.841616D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.810957D+01 -0.106077D+02 -0.713616D+01 -0.222295D+01  0.153539D-01
      2   0.734438D+01  0.643560D+01  0.963727D+01  0.272971D+00  0.792145D+00
      3   0.765193D+00  0.417210D+01 -0.250111D+01  0.194998D+01 -0.807498D+00
      4  -0.815717D+01 -0.189013D+02  0.250816D+01 -0.454124D+01 -0.248096D+02
      5  -0.101421D+02  0.181924D+00 -0.176486D+02  0.706202D+01  0.488707D+01
      6  -0.177985D+01  0.882797D+01 -0.204005D+01  0.478984D+01  0.395035D+01
                 6             7             8             9            10 
      1   0.870094D+01 -0.883137D+01  0.826561D+01 -0.140850D+02 -0.581128D+01
      2  -0.273782D+01  0.130011D+02  0.251460D+00  0.120562D+02  0.512419D+01
      3  -0.596312D+01 -0.416976D+01 -0.851707D+01  0.202878D+01  0.687092D+00
      4   0.779866D+01  0.801009D+01  0.194397D+02 -0.117904D+02 -0.144439D+01
      5   0.142539D+01 -0.226993D+02 -0.549061D+01 -0.906685D+01  0.232975D+01
      6  -0.292296D+01 -0.611189D+01 -0.756953D+01 -0.736625D+00  0.778733D+01
                11            12            13            14            15 
      1   0.926670D+01 -0.154606D+01  0.141586D+02  0.233838D+02 -0.266590D+01
      2  -0.137433D+02 -0.262363D+00 -0.168040D+02 -0.469901D+02  0.561102D+00
      3   0.447659D+01  0.180842D+01  0.264539D+01  0.236063D+02  0.210479D+01
      4  -0.385998D+01  0.215680D+01  0.268298D+01 -0.145825D+02 -0.654882D+00
      5   0.145570D+01  0.800671D+00  0.164212D+01 -0.375829D+01  0.812286D+00
      6  -0.187241D+01  0.746840D+01 -0.374136D+01 -0.310051D+01  0.459511D+01
                16            17            18            19            20 
      1  -0.206723D+01 -0.479167D+01  0.159675D+02 -0.178197D+02  0.963533D+01
      2  -0.356725D+01  0.123652D+02  0.806948D+01 -0.739448D+01  0.129817D+02
      3   0.563448D+01 -0.757357D+01 -0.240370D+02  0.252142D+02 -0.226171D+02
      4   0.205469D+01 -0.231975D+01  0.389281D+01  0.601351D+02 -0.424791D+02
      5   0.467764D+01  0.788415D+00  0.330013D+01  0.274570D+02 -0.739269D+01
      6   0.592616D+01  0.140224D+01 -0.189531D+02 -0.120251D+02  0.146787D+01
                21            22            23            24            25 
      1   0.152200D+02  0.250581D+02 -0.192608D+02 -0.133565D+02 -0.242201D+01
      2  -0.118715D+02 -0.330684D+01 -0.775623D+01  0.185675D+02 -0.609204D+00
      3  -0.334850D+01 -0.217513D+02  0.270170D+02 -0.521102D+01  0.303121D+01
      4  -0.800607D+01 -0.522511D+02  0.663149D+02  0.711015D-01 -0.353347D+01
      5  -0.121864D+02 -0.222042D+02  0.423662D+01  0.188473D+02  0.116417D+02
      6   0.118238D+02  0.899227D+01  0.386708D+01 -0.724580D+01 -0.138539D+00
                26            27            28            29            30 
      1  -0.297772D+01 -0.397075D+01  0.840890D+01 -0.113010D+02 -0.261114D+02
      2   0.643183D+01 -0.876958D+01  0.424413D+01 -0.920358D+01  0.182065D+02
      3  -0.345411D+01  0.127403D+02 -0.126530D+02  0.205046D+02  0.790494D+01
      4  -0.319216D+01  0.798866D+01 -0.397169D+02  0.485017D+02  0.217106D+02
      5   0.667389D+00 -0.429719D+01 -0.477368D+02  0.184814D+02  0.211018D+02
      6   0.824587D+01 -0.130239D+01  0.231470D+02 -0.126262D+02 -0.113101D+02
                31            32            33            34            35 
      1  -0.171435D+02  0.209759D+02  0.196451D+02 -0.387275D+02  0.264219D+02
      2  -0.912243D+01  0.757859D+01 -0.256969D+02  0.258201D+02 -0.310964D+02
      3   0.262659D+02 -0.285545D+02  0.605176D+01  0.129074D+02  0.467448D+01
      4   0.580567D+02 -0.562961D+02  0.912465D+01  0.175202D+02  0.123782D+02
      5   0.115599D+02  0.103914D+02 -0.156559D+02  0.261068D+02 -0.198800D+02
      6  -0.587427D+01 -0.221387D+02  0.955030D+01 -0.157689D+02  0.147572D+02
                36            37            38            39            40 
      1   0.341593D+01  0.491599D+01 -0.685312D+01  0.243301D+01 -0.125534D+02
      2  -0.496777D+01  0.611496D+01  0.253019D+00 -0.540244D+01 -0.392010D+00
      3   0.155185D+01 -0.110309D+02  0.660010D+01  0.296943D+01  0.129454D+02
      4  -0.185507D+02 -0.342958D+02  0.107180D+02  0.446390D+01  0.695661D+01
      5  -0.121914D+02 -0.497683D+01 -0.282917D+00 -0.824865D+00  0.479500D+01
      6  -0.141479D+01  0.526209D+01 -0.864665D+01 -0.394284D+01 -0.963226D+01
                41            42            43            44            45 
      1   0.281766D+02  0.748873D+01  0.188460D+02  0.508970D+01  0.411760D+01
      2  -0.732846D+01 -0.368847D+01 -0.121086D+02 -0.765682D+01 -0.219233D+00
      3  -0.208481D+02 -0.380025D+01 -0.673739D+01  0.256712D+01 -0.389836D+01
      4  -0.109100D+02 -0.252759D+01  0.145758D+02 -0.648060D+01 -0.646018D+01
      5  -0.703301D+01  0.287990D+01 -0.841912D+01  0.410628D+01 -0.217132D+01
      6  -0.235570D+01 -0.221603D+02 -0.126151D+01 -0.180935D+02 -0.125715D+01
                46            47            48            49            50 
      1  -0.163074D+02 -0.681175D+01 -0.150928D+02 -0.299488D+01 -0.479510D+00
      2   0.946704D+00  0.414695D+01  0.131726D+02  0.795952D+01  0.169248D+01
      3   0.153607D+02  0.266480D+01  0.192022D+01 -0.496464D+01 -0.121297D+01
      4   0.263756D+01  0.434064D+01 -0.955520D+01  0.971442D+00  0.226564D+02
      5  -0.167512D+02 -0.150631D+01  0.987797D+01 -0.749844D+00 -0.155103D+01
      6  -0.645218D+01  0.153359D+00  0.376180D+01  0.101171D+01 -0.878007D+01
                51            52            53            54            55 
      1  -0.738051D+01 -0.211133D+02 -0.482434D+01  0.106630D+02 -0.434780D+01
      2  -0.427878D+01  0.155824D+02  0.186733D+01 -0.743638D+01 -0.864055D+01
      3   0.116593D+02  0.553091D+01  0.295702D+01 -0.322658D+01  0.129884D+02
      4  -0.161508D+01 -0.211880D+02 -0.319306D+00  0.143266D+01  0.197786D+02
      5  -0.522756D+01  0.129311D+02 -0.567200D+01  0.247721D+01  0.533779D+01
      6   0.348426D+01  0.402868D+01 -0.730819D+00  0.759883D+00 -0.583469D+01
                56            57            58            59            60 
      1   0.329664D+01  0.420475D+01 -0.350047D+01 -0.148154D+02  0.118042D+01
      2   0.131008D+02 -0.567503D+01  0.115660D+02  0.663399D+01  0.155780D+01
      3  -0.163974D+02  0.147028D+01 -0.806556D+01  0.818140D+01 -0.273822D+01
      4  -0.240681D+02 -0.551004D+01 -0.236682D+02  0.110493D+02  0.647343D+01
      5  -0.397178D+01 -0.100329D+01 -0.713859D+01  0.692360D+01  0.277171D+01
      6  -0.155941D+01 -0.954904D+01  0.970608D+00  0.403799D+01 -0.973789D+00
                61            62            63            64            65 
      1   0.331965D+01  0.405367D+01  0.327923D+01  0.722546D+01  0.104378D+02
      2  -0.223113D+01 -0.101376D+02  0.561308D+01  0.627717D+01 -0.727629D+01
      3  -0.108852D+01  0.608393D+01 -0.889231D+01 -0.135026D+02 -0.316150D+01
      4  -0.136566D+01  0.889597D+01 -0.275694D+01  0.162218D+00 -0.518777D+01
      5   0.104885D+01  0.205598D+00 -0.929784D+00 -0.537803D+01  0.805428D+01
      6  -0.534100D+01  0.295191D+01  0.124911D+02  0.131363D+02  0.164571D+02
                66            67            68            69            70 
      1  -0.426817D+01  0.175825D+02 -0.108970D+02 -0.189107D+01  0.775805D+00
      2   0.156622D+02 -0.475819D+01  0.439548D+01 -0.710665D+01  0.121231D+02
      3  -0.113940D+02 -0.128243D+02  0.650148D+01  0.899771D+01 -0.128989D+02
      4   0.797675D+01 -0.410180D+01 -0.394391D+01  0.374170D+01 -0.569338D+00
      5  -0.179545D+02  0.134580D+01  0.963982D+01 -0.101192D+02 -0.161259D+02
      6  -0.156469D+01  0.147269D+02 -0.133067D+02 -0.502898D+00  0.219911D+01
                71            72            73            74            75 
      1  -0.599332D+01 -0.631363D+01  0.242284D+02  0.268013D+01  0.116513D+02
      2   0.731446D+00 -0.224720D+01 -0.185000D+02 -0.232303D+01 -0.121557D+02
      3   0.526188D+01  0.856083D+01 -0.572836D+01 -0.357097D+00  0.504404D+00
      4   0.659008D+01  0.316548D+01  0.875137D+01  0.940032D+01  0.586641D+01
      5  -0.278156D+01 -0.528210D+01  0.208832D+02  0.371959D+01  0.186654D+02
      6  -0.330721D+01  0.225855D+01  0.267267D+01  0.130295D+01  0.361616D+01
                76            77            78            79            80 
      1  -0.498838D+01  0.103734D+01 -0.269423D+01  0.144383D+02 -0.353801D+00
      2   0.457005D+01 -0.344368D+00  0.343476D+01 -0.158225D+02 -0.369552D+00
      3   0.418333D+00 -0.692967D+00 -0.740530D+00  0.138418D+01  0.723353D+00
      4   0.610390D+01  0.104184D+01  0.265464D+01  0.705589D+01  0.334490D+01
      5  -0.319246D+01  0.371340D+01 -0.247438D+01  0.235211D+02  0.543632D+01
      6   0.229674D+01 -0.109198D+00  0.389775D+01  0.406848D+01  0.481389D+01
                81            82            83            84            85 
      1   0.802408D+01 -0.459549D+00 -0.265009D+01 -0.307276D+00 -0.435217D+01
      2  -0.168512D+02  0.690831D+01  0.890085D+01  0.100206D+01  0.108612D+02
      3   0.882709D+01 -0.644876D+01 -0.625076D+01 -0.694784D+00 -0.650907D+01
      4   0.846307D+01  0.718530D+01  0.146937D+02  0.944241D+00  0.115358D+02
      5   0.266979D+02  0.160517D+01  0.242058D+01  0.212363D+01  0.207936D+01
      6   0.538280D+01  0.992484D+00  0.263527D+01  0.586623D+00  0.343102D+01
                86            87            88            89            90 
      1  -0.412070D+02 -0.374654D+01  0.415210D+00  0.300734D+01 -0.563072D+01
      2   0.757879D+02  0.365640D+01 -0.940619D+00 -0.822808D+01  0.460702D+01
      3  -0.345809D+02  0.901423D-01  0.525409D+00  0.522074D+01  0.102370D+01
      4   0.233212D+02  0.213982D+01 -0.136495D+01 -0.257690D+01  0.146786D+01
      5   0.314868D+01  0.178018D+01  0.107055D+01  0.203302D+01 -0.230563D+00
      6   0.148565D+02  0.912818D+01  0.450170D+00  0.854030D+01  0.171316D+01
                91            92            93            94            95 
      1  -0.928185D+00  0.105265D+01  0.342250D+01 -0.173896D+01 -0.591002D+01
      2  -0.358063D+01 -0.217500D+00 -0.155597D+00  0.810698D+00  0.579610D+01
      3   0.450882D+01 -0.835154D+00 -0.326690D+01  0.928263D+00  0.113913D+00
      4  -0.184756D+01  0.336554D+01  0.307141D+01  0.645297D+00 -0.292002D+00
      5  -0.210013D+01  0.936901D+00  0.655014D+01 -0.320280D+00 -0.118357D+00
      6   0.229931D+01 -0.251026D+01 -0.503400D+01 -0.101737D+01  0.350849D+01
                96            97            98            99           100 
      1  -0.154330D+01  0.443198D+01 -0.857695D+01 -0.261854D+02  0.627606D+02
      2   0.344837D+01  0.103539D+01  0.298061D+01 -0.130471D+02 -0.286507D+02
      3  -0.190507D+01 -0.546737D+01  0.559634D+01  0.392325D+02 -0.341099D+02
      4  -0.183784D+00  0.352515D+01  0.280711D+00 -0.287647D-01 -0.335073D+02
      5  -0.582853D+00  0.498205D+01  0.682712D+00  0.227952D+01  0.191837D+02
      6   0.494151D+01 -0.270017D+01  0.126235D+02  0.301945D+02 -0.111026D+02
               101           102           103           104           105 
      1  -0.115733D+02  0.162425D+02 -0.136361D+01  0.475448D+01  0.116452D+01
      2   0.202029D+01 -0.818835D+01 -0.357229D+01  0.293988D+01 -0.401103D+00
      3   0.955298D+01 -0.805419D+01  0.493591D+01 -0.769437D+01 -0.763418D+00
      4   0.182899D+02 -0.105248D+02  0.132373D+02 -0.102561D+02 -0.450044D+00
      5  -0.627456D+01  0.111549D+02  0.369902D+01 -0.143407D+01 -0.220092D+00
      6   0.413850D+01 -0.599797D+01 -0.599459D+00  0.169521D+01  0.153655D+01
               106           107           108           109           110 
      1   0.333774D+02 -0.834726D+01  0.818485D+01  0.439471D+01 -0.997453D+01
      2  -0.182607D+02  0.385661D+01 -0.667734D+01  0.180683D+01  0.653256D+01
      3  -0.151167D+02  0.449064D+01 -0.150752D+01 -0.620154D+01  0.344197D+01
      4  -0.145448D+02  0.271410D+01 -0.326596D+01 -0.558864D+01  0.459352D+01
      5   0.922182D+01  0.306882D+00  0.894270D+01  0.156640D+01 -0.278092D+01
      6  -0.371703D+01  0.124473D+01 -0.285977D+01 -0.248697D-01  0.653391D+01
               111           112           113           114           115 
      1  -0.280213D+01 -0.251572D+01 -0.254678D+02 -0.108274D+02  0.618309D+00
      2   0.280618D+01 -0.261312D+01  0.426248D+02  0.135420D+02 -0.257064D+01
      3  -0.404517D-02  0.512884D+01 -0.171570D+02 -0.271470D+01  0.195233D+01
      4  -0.259864D+01  0.130637D+02 -0.321566D+02 -0.117528D+02 -0.291478D+00
      5  -0.106503D+01  0.340409D+01 -0.142056D+02 -0.841167D+01  0.163087D+00
      6   0.364450D+01 -0.382986D+01  0.226664D+02  0.131918D+02  0.842675D+00
               116           117           118           119           120 
      1  -0.167746D+02 -0.907283D+01 -0.672504D-01 -0.142299D+01 -0.164587D+01
      2   0.219714D+02  0.734820D+01  0.148811D+00  0.458758D+00  0.318942D+00
      3  -0.519687D+01  0.172463D+01 -0.815603D-01  0.964230D+00  0.132692D+01
      4  -0.118330D+02 -0.404945D+01  0.254926D+01  0.800936D+01  0.382209D+01
      5  -0.555701D+01 -0.354528D+01  0.730201D+00  0.485165D+01  0.605487D+01
      6   0.115876D+02  0.876722D+01  0.499633D+01  0.204469D+01  0.300444D+01
               121           122           123           124           125 
      1  -0.340940D+01 -0.188154D+02 -0.134251D+02 -0.572708D+00 -0.106604D+02
      2   0.184446D+01  0.155561D+02  0.588063D+01  0.606684D+00  0.251974D+01
      3   0.156493D+01  0.325930D+01  0.754449D+01 -0.339765D-01  0.814065D+01
      4   0.637357D+01  0.541383D+01  0.304626D+01  0.724387D+00  0.217427D+01
      5   0.351115D+01  0.162972D+01  0.223117D+01  0.325397D+01  0.157519D+01
      6   0.233477D+01  0.230985D+02  0.196501D+02  0.271307D+01  0.170760D+02
               126           127           128           129           130 
      1  -0.153007D+02  0.125450D+02  0.345718D+01  0.776207D+01  0.647541D+01
      2  -0.102717D+01  0.114574D+02 -0.649919D+01 -0.139905D+02 -0.138366D+02
      3   0.163278D+02 -0.240025D+02  0.304201D+01  0.622846D+01  0.736120D+01
      4   0.342908D+01  0.748938D+01  0.551168D+00  0.425410D+01 -0.147768D+01
      5   0.127935D+01  0.708765D+01 -0.481250D+01 -0.219973D+02 -0.646621D+01
      6   0.165655D+02 -0.461295D-01  0.360900D+01  0.293672D+01  0.595193D+01
               131           132           133           134           135 
      1   0.100793D+02  0.294879D+01  0.623133D+01  0.601269D+01 -0.136093D+02
      2  -0.257434D+02  0.151200D+02 -0.121575D+02  0.571639D+01  0.133138D+02
      3   0.156641D+02 -0.180688D+02  0.592612D+01 -0.117291D+02  0.295494D+00
      4  -0.193053D+02  0.215350D+01  0.580033D+01 -0.248492D+00  0.187566D+01
      5   0.458663D+01  0.110839D+02 -0.221780D+02  0.616719D+01  0.111154D+02
      6   0.227719D+02  0.889477D+00  0.989695D+00  0.512654D+01 -0.136129D+02
               136           137           138           139           140 
      1  -0.142433D+00  0.173743D+02  0.264810D+02  0.248190D+02  0.190660D+00
      2   0.281013D+01 -0.131361D+02 -0.129242D+02 -0.221764D+02 -0.152886D+02
      3  -0.266769D+01 -0.423830D+01 -0.135567D+02 -0.264267D+01  0.150980D+02
      4   0.163101D+02 -0.605830D+01  0.290735D+01 -0.127228D+02 -0.381639D+02
      5   0.280885D+02 -0.968771D+00 -0.142762D+02 -0.311854D+01 -0.424897D+01
      6   0.455280D+01 -0.869107D+00 -0.136123D+01 -0.177825D+01 -0.639709D+01
               141           142           143           144           145 
      1  -0.624764D+00  0.333451D+02 -0.198257D+01 -0.201086D+02  0.159708D+02
      2  -0.184970D+01 -0.165018D+02 -0.241658D+01  0.170063D+02  0.394841D+01
      3   0.247447D+01 -0.168434D+02  0.439916D+01  0.310237D+01 -0.199192D+02
      4  -0.358318D+01  0.409057D+01 -0.357498D+01  0.122609D+02 -0.322325D+02
      5   0.152193D+02 -0.216510D+02  0.140743D+02 -0.159965D+02 -0.429398D+01
      6   0.206258D+01 -0.215087D+01  0.288544D+01 -0.172226D+01  0.205778D+01
               146           147           148           149           150 
      1  -0.549432D+01 -0.202740D+01 -0.854493D+00 -0.461634D+01 -0.528439D+00
      2  -0.117973D+02  0.119269D+00 -0.127468D+02  0.233211D+02  0.294960D+01
      3   0.172916D+02  0.190813D+01  0.136013D+02 -0.187047D+02 -0.242116D+01
      4   0.295065D+02  0.406218D+01  0.246916D+02 -0.277112D+02 -0.362565D+01
      5   0.253565D+01  0.595125D+01  0.195543D+01 -0.274255D+01 -0.236810D+01
      6  -0.178137D+01 -0.319603D+01 -0.153598D+01  0.240611D+01  0.659953D+01
               151           152           153           154           155 
      1  -0.148641D+01 -0.443462D+00 -0.125687D+01  0.318931D+01  0.253702D+01
      2  -0.822176D-02  0.343080D+01  0.236200D+01 -0.129034D+02  0.966083D-01
      3   0.149463D+01 -0.298734D+01 -0.110512D+01  0.971405D+01 -0.263363D+01
      4   0.391479D+01 -0.403236D+01 -0.546282D+01 -0.466581D+01  0.455017D+01
      5   0.585459D+01 -0.460308D+01 -0.235024D+01  0.203412D+02 -0.534897D+01
      6  -0.418272D+01  0.828734D+01  0.867785D+00 -0.946855D+01  0.504580D+01
               156           157           158           159           160 
      1  -0.427391D+01 -0.166015D+01 -0.578022D+00  0.977844D+00 -0.322090D+01
      2  -0.127708D+02 -0.535476D+00 -0.899189D+00 -0.180322D+01 -0.111387D+02
      3   0.170447D+02  0.219563D+01  0.147721D+01  0.825372D+00  0.143596D+02
      4  -0.569437D+01  0.525869D+01 -0.157040D+01  0.258340D+01 -0.423026D+01
      5   0.197980D+02 -0.106516D+01  0.319865D+01 -0.961111D+00  0.172727D+02
      6  -0.101725D+02  0.275723D+01 -0.234925D+01  0.720162D+01 -0.701891D+01
               161           162           163           164           165 
      1   0.388549D+01 -0.117358D+02 -0.369544D+01 -0.818359D+01  0.913945D+01
      2   0.950474D+00 -0.167741D+02 -0.125561D+01  0.458287D+01  0.117887D+01
      3  -0.483597D+01  0.285099D+02  0.495105D+01  0.360072D+01 -0.103183D+02
      4   0.220338D+01 -0.379320D+01  0.840987D+01  0.844725D+01 -0.704898D+01
      5  -0.319911D+01  0.207291D+02 -0.115978D+02 -0.794948D+01  0.130304D+02
      6   0.788136D+01 -0.131569D+02 -0.101741D+02 -0.141573D+02  0.132088D+02
               166           167           168           169           170 
      1  -0.522976D+01 -0.107306D+02  0.967839D+01  0.380784D+01  0.778570D+01
      2   0.287473D+01  0.100224D+02 -0.186396D+01  0.662868D+00 -0.240773D+00
      3   0.235503D+01  0.708170D+00 -0.781444D+01 -0.447071D+01 -0.754492D+01
      4   0.782946D+01  0.602924D+01 -0.497037D+01 -0.460983D+01 -0.441554D+01
      5  -0.558304D+01 -0.691476D+01  0.534283D+01  0.906722D+01  0.500116D+01
      6  -0.899399D+01 -0.145270D+02  0.154487D+02  0.641695D+01  0.125095D+02
               171           172           173           174           175 
      1  -0.112299D+02 -0.483281D+01  0.775422D+00 -0.105483D+02 -0.118920D+01
      2  -0.343917D+01 -0.445412D+01 -0.718098D+00 -0.379127D+01  0.154390D+01
      3   0.146691D+02  0.928693D+01 -0.573245D-01  0.143396D+02 -0.354699D+00
      4   0.470917D+01 -0.940583D+01  0.364628D+00 -0.197761D+01  0.148520D+01
      5  -0.793917D+01  0.131698D+02  0.172110D+01  0.817659D+01  0.173513D+01
      6  -0.151814D+02  0.151376D+00  0.413137D+01 -0.545905D+01  0.208897D+01
               176           177           178           179           180 
      1  -0.306792D+01 -0.577250D+00 -0.614228D+01 -0.202878D+00 -0.631961D+01
      2   0.382452D+01 -0.274336D+01 -0.273426D+01 -0.118932D+01 -0.629739D+01
      3  -0.756608D+00  0.332061D+01  0.887654D+01  0.139220D+01  0.126170D+02
      4   0.124546D+01  0.915503D-01 -0.241398D+01  0.509525D+00 -0.306183D+01
      5   0.160804D+01 -0.168471D+01  0.100146D+02  0.152156D+00  0.496215D+01
      6  -0.173839D+01  0.229633D+01 -0.221955D+01  0.259784D+01 -0.173375D+01
               181           182           183           184           185 
      1  -0.462939D+00  0.146871D+01 -0.527225D+00 -0.893206D+00 -0.210781D+02
      2   0.163017D+01  0.178705D+01  0.148606D+01  0.564223D+01  0.382446D+02
      3  -0.116723D+01 -0.325576D+01 -0.958831D+00 -0.474903D+01 -0.171665D+02
      4   0.435359D+01  0.834505D+01 -0.254275D+01  0.107406D+02  0.218746D+02
      5  -0.261575D+01 -0.333513D+01  0.509634D+01 -0.447926D+01 -0.614768D+01
      6  -0.311386D+01 -0.333480D+01  0.116717D+01 -0.627537D+01 -0.308089D+02
               186           187           188           189           190 
      1   0.844197D+01  0.292794D+00  0.195268D+01 -0.267463D+01  0.868109D+01
      2  -0.584651D+01  0.193096D+01  0.171256D+01  0.897134D+00 -0.175049D+02
      3  -0.259546D+01 -0.222375D+01 -0.366524D+01  0.177749D+01  0.882383D+01
      4  -0.556874D+01  0.136272D+00  0.880052D+00  0.209011D+01  0.265426D+01
      5   0.425699D+01  0.309157D+01  0.136487D+01 -0.189525D+01 -0.236855D+02
      6   0.142399D+02  0.119584D+01  0.651926D+01 -0.309494D+01 -0.330079D+00
               191           192           193           194           195 
      1  -0.209998D+01 -0.138583D+01 -0.326452D+01 -0.763930D+00 -0.157074D+01
      2   0.389582D+01  0.172655D+02  0.708510D+01 -0.841648D+00 -0.911954D+01
      3  -0.179584D+01 -0.158797D+02 -0.382058D+01  0.160558D+01  0.106903D+02
      4   0.385548D+01 -0.335438D+01  0.301075D+01 -0.656235D+00 -0.297043D+01
      5   0.276706D+01  0.256129D+02  0.895912D+01 -0.575479D+01 -0.102559D+02
      6  -0.526119D+01  0.178610D+01 -0.438846D+01  0.181241D+01  0.526385D+01
               196           197           198           199           200 
      1  -0.117244D+01 -0.338469D+00 -0.673833D+01  0.926305D+01 -0.410865D+01
      2   0.139024D+02 -0.362297D+01 -0.224746D+02 -0.812489D+01  0.320500D+01
      3  -0.127300D+02  0.396144D+01  0.292129D+02 -0.113816D+01  0.903643D+00
      4  -0.223464D+01 -0.271309D+01  0.179961D+01 -0.286175D+01  0.289448D+01
      5   0.204835D+02 -0.315619D+01 -0.266059D+02  0.847125D+01 -0.312939D+01
      6   0.587732D+00  0.549465D+01 -0.916813D+00 -0.596118D+00  0.487694D+00
               201           202           203           204           205 
      1   0.586200D+01 -0.993276D+01  0.995339D+00 -0.210859D+01  0.128796D+02
      2  -0.633225D+01  0.674303D+01 -0.185564D+00  0.360114D+01 -0.111231D+02
      3   0.470247D+00  0.318973D+01 -0.809775D+00 -0.149256D+01 -0.175658D+01
      4  -0.176439D+01  0.458256D+01 -0.181033D+01  0.613989D+01  0.222098D+00
      5   0.142121D+02 -0.517964D+01  0.594934D+01 -0.103418D+02  0.209512D+02
      6   0.576106D+00  0.819509D+00 -0.133833D+01  0.237721D+01  0.243263D+01
               206           207           208           209           210 
      1  -0.475034D+00  0.710736D+01  0.549738D+02 -0.920403D+01 -0.184155D+02
      2   0.354190D+01 -0.173135D+02 -0.300968D+02  0.563521D+01  0.104819D+02
      3  -0.306686D+01  0.102061D+02 -0.248770D+02  0.356882D+01  0.793358D+01
      4   0.800322D+01 -0.543613D+01 -0.250219D+01  0.849409D+01  0.121862D+01
      5  -0.736986D+01  0.339047D+02 -0.196961D+02  0.314918D+01  0.158628D+02
      6   0.278176D+01  0.348271D+01 -0.193452D+01  0.774261D-01  0.190577D+01
               211           212           213           214           215 
      1  -0.200556D+02  0.722685D+01  0.490897D+01 -0.345499D+02  0.426838D+01
      2   0.118614D+02 -0.180786D+01 -0.279842D+01  0.201646D+02 -0.270433D+01
      3   0.819427D+01 -0.541900D+01 -0.211055D+01  0.143853D+02 -0.156405D+01
      4   0.109993D+02 -0.222477D+01 -0.410693D+01 -0.504466D+00 -0.661772D+01
      5   0.638656D+01 -0.400515D+01 -0.732284D+01  0.222693D+02 -0.488755D+01
      6  -0.759459D+00  0.149378D+01  0.139269D+01  0.173812D+01  0.121219D+01
               216           217           218           219           220 
      1   0.149185D+02  0.738530D+01  0.562057D+01 -0.111255D+01  0.984674D+01
      2  -0.122623D+02 -0.513410D+00 -0.649678D+00  0.981079D+00  0.464181D+01
      3  -0.265622D+01 -0.687189D+01 -0.497090D+01  0.131472D+00 -0.144886D+02
      4  -0.278061D+01  0.811261D+01  0.120488D+02  0.101062D+01  0.273155D+02
      5  -0.166951D+02 -0.691406D+00  0.168618D+01  0.320579D+01  0.426477D+01
      6  -0.129174D+01  0.756290D+00  0.839055D+00  0.246138D+00  0.342486D+01
               221           222           223           224           225 
      1  -0.442335D+01  0.315451D+00 -0.291467D+01 -0.194718D+00  0.132035D+01
      2   0.267093D+02  0.870600D+00  0.131007D+01  0.764539D+00  0.172485D+00
      3  -0.222860D+02 -0.118605D+01  0.160460D+01 -0.569821D+00 -0.149284D+01
      4   0.498052D+02  0.455208D+01  0.116820D+01  0.290360D+01  0.432579D+01
      5   0.476047D+01  0.660895D+01  0.660203D+01  0.423104D+01  0.289887D+01
      6   0.790751D+01  0.687548D+01  0.288979D+01  0.633793D+01  0.149705D+01
               226           227           228           229           230 
      1   0.160515D+02  0.116262D+02 -0.497513D+01  0.745082D+01  0.279441D+01
      2  -0.564691D+01 -0.294092D+01  0.108027D+01  0.530739D+00  0.622829D+01
      3  -0.104046D+02 -0.868531D+01  0.389486D+01 -0.798156D+01 -0.902269D+01
      4   0.194043D+02  0.233059D+02 -0.629608D+01  0.159789D+02  0.276447D+02
      5  -0.640409D+01 -0.310787D+01  0.728303D+01 -0.290220D+01 -0.675910D+01
      6  -0.492910D+01 -0.513329D+01  0.389494D+01 -0.498820D+01 -0.602250D+01
               231           232           233           234 
      1  -0.324416D+01 -0.968011D+01 -0.453931D+01  0.549869D+01
      2  -0.178891D+01  0.351286D+01 -0.216325D+01 -0.337662D+01
      3   0.503307D+01  0.616725D+01  0.670256D+01 -0.212206D+01
      4  -0.837908D+01 -0.119475D+02 -0.219938D+02  0.105361D+02
      5   0.236615D+01  0.960508D+01  0.751220D+01 -0.920825D+01
      6   0.678524D+01  0.583976D+01  0.854560D+01 -0.564574D+01
 Leave Link  716 at Fri Jul  9 20:56:57 2021, MaxMem= 17179869184 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.132757D+03 -0.829223D+01  0.182114D+00
      2  -0.829223D+01  0.123722D+03  0.109994D+01
      3   0.182114D+00  0.109994D+01  0.107602D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.411295D+01 -0.424508D+01  0.332013D+01
      2   0.833663D+01  0.227277D+01 -0.754833D+01
      3   0.107415D+02 -0.101614D+02 -0.677484D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.135450D+02 -0.323687D+02  0.382215D+01
      2   0.198497D+02 -0.861014D+01 -0.746221D+01
      3  -0.333947D+02  0.409789D+02  0.364006D+01
      4  -0.789831D+02  0.617819D+02  0.139512D+02
      5   0.497876D+01  0.203527D+02 -0.211967D+02
      6   0.104111D+02 -0.444447D+01 -0.145928D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.189473D+01 -0.215874D+01 -0.175931D+01 -0.955885D+00  0.139208D+01
      2  -0.215874D+01 -0.142412D+01  0.104535D+01  0.139208D+01 -0.401935D+01
      3  -0.175931D+01  0.104535D+01 -0.268148D+01  0.195132D+01  0.129209D+01
                 6             7             8             9            10 
      1   0.195132D+01 -0.364631D+01  0.198024D+01 -0.369292D+01 -0.898155D-01
      2   0.129209D+01  0.198024D+01  0.283963D+01 -0.975451D+00  0.239360D+01
      3   0.400374D-01 -0.369292D+01 -0.975451D+00 -0.597244D+00  0.166675D+01
                11            12            13            14            15 
      1   0.239360D+01  0.166675D+01  0.210838D+01 -0.348626D+01 -0.133598D+00
      2  -0.354994D+01 -0.240421D-01 -0.348626D+01 -0.707196D+01  0.503811D+00
      3  -0.240421D-01  0.200366D+01 -0.133598D+00  0.503811D+00  0.103627D+01
                16            17            18            19            20 
      1   0.252941D+01  0.180179D+00  0.191237D+01 -0.141191D+02  0.103470D+02
      2   0.180179D+00  0.161973D+01 -0.263908D+00  0.103470D+02 -0.892697D+01
      3   0.191237D+01 -0.263908D+00 -0.596336D+01  0.365738D+01 -0.293908D+00
                21            22            23            24            25 
      1   0.365738D+01  0.105830D+02 -0.888418D+01 -0.213429D+01  0.283490D+00
      2  -0.293908D+00 -0.888418D+01  0.114555D+02 -0.242072D+01  0.481309D+00
      3  -0.210989D+01 -0.213429D+01 -0.242072D+01  0.310249D+01 -0.761299D+00
                26            27            28            29            30 
      1   0.481309D+00 -0.761299D+00  0.788450D+01 -0.724069D+01 -0.621504D+01
      2  -0.169347D+01  0.795357D+00 -0.724069D+01  0.839322D+01  0.242499D+01
      3   0.795357D+00  0.719093D-01 -0.621504D+01  0.242499D+01  0.311589D+01
                31            32            33            34            35 
      1  -0.109842D+02  0.929090D+01  0.106967D+01 -0.699903D+01  0.143999D+01
      2   0.929090D+01 -0.963164D+01  0.423190D+01  0.143999D+01  0.518566D+01
      3   0.106967D+01  0.423190D+01 -0.311505D+01  0.366474D+01 -0.323834D+01
                36            37            38            39            40 
      1   0.366474D+01  0.130501D+02 -0.634363D+01 -0.420328D+01 -0.264369D+01
      2  -0.323834D+01 -0.634363D+01  0.413175D+01 -0.880677D+00  0.294141D+01
      3  -0.106100D+01 -0.420328D+01 -0.880677D+00  0.293039D+01 -0.899314D+00
                41            42            43            44            45 
      1   0.294141D+01 -0.899314D+00 -0.824879D+01  0.651543D+00  0.320522D+01
      2   0.116494D+01  0.601790D+01  0.651543D+00  0.495372D+01  0.143424D+01
      3   0.601790D+01  0.608948D+00  0.320522D+01  0.143424D+01 -0.150719D+01
                46            47            48            49            50 
      1  -0.522387D+01  0.366113D+01  0.662011D+01  0.481391D+01 -0.544344D+01
      2   0.366113D+01 -0.326200D+01  0.171385D+00 -0.544344D+01 -0.802712D+01
      3   0.662011D+01  0.171385D+00 -0.260791D+01 -0.173405D+00 -0.738411D+00
                51            52            53            54            55 
      1  -0.173405D+00  0.129542D+02 -0.240229D+01 -0.287157D+01  0.219522D+01
      2  -0.738411D+00 -0.240229D+01  0.154616D+01  0.269982D+01 -0.363519D+01
      3   0.197550D+01 -0.287157D+01  0.269982D+01 -0.106797D+01 -0.259450D+01
                56            57            58            59            60 
      1  -0.363519D+01 -0.259450D+01 -0.337814D+01  0.667803D+01  0.193238D-01
      2   0.603824D+01 -0.941633D-01  0.667803D+01  0.431048D+01 -0.252530D+01
      3  -0.941633D-01 -0.140206D+01  0.193238D-01 -0.252530D+01  0.223497D+01
                61            62            63            64            65 
      1  -0.265788D+01 -0.794682D+00 -0.153557D+01  0.803437D-01 -0.988312D+00
      2  -0.794682D+00 -0.337216D+01  0.203473D+00 -0.988312D+00 -0.401826D+01
      3  -0.153557D+01  0.203473D+00  0.510688D+01  0.433422D+01  0.283235D+01
                66            67            68            69            70 
      1   0.433422D+01  0.107819D+01 -0.445425D+01  0.334333D+01  0.368310D+01
      2   0.283235D+01 -0.445425D+01  0.412888D+01 -0.117172D+01  0.185039D+01
      3   0.173207D+01  0.334333D+01 -0.117172D+01 -0.289062D+01  0.139634D+01
                71            72            73            74            75 
      1   0.185039D+01  0.139634D+01  0.453966D+01  0.621186D+00  0.262940D+01
      2  -0.425083D+00 -0.244306D+01  0.621186D+00  0.129060D+01  0.502410D+00
      3  -0.244306D+01 -0.124884D+01  0.262940D+01  0.502410D+00  0.242551D+01
                76            77            78            79            80 
      1  -0.775428D+00  0.711533D+00 -0.571215D+00  0.398124D+01  0.246598D+00
      2   0.711533D+00 -0.310095D-01  0.547580D+00  0.246598D+00  0.568859D+00
      3  -0.571215D+00  0.547580D+00 -0.321671D+00  0.335512D+01  0.861148D+00
                81            82            83            84            85 
      1   0.335512D+01  0.897334D+00  0.147325D+01 -0.751310D-01  0.151370D+01
      2   0.861148D+00  0.147325D+01  0.190178D+01  0.220919D+00  0.223354D+01
      3   0.430218D+01 -0.751310D-01  0.220919D+00 -0.118848D+00  0.271720D+00
                86            87            88            89            90 
      1   0.223354D+01  0.271720D+00 -0.678612D+00 -0.244634D+00 -0.105183D-01
      2   0.122415D+02  0.901271D+00 -0.244634D+00 -0.146288D+01  0.119923D+01
      3   0.901271D+00  0.964875D+00 -0.105183D-01  0.119923D+01  0.500830D+00
                91            92            93            94            95 
      1  -0.772310D+00 -0.124236D+00  0.952680D+00 -0.395607D+00 -0.105769D-02
      2  -0.124236D+00  0.815123D-01 -0.295873D+00 -0.105769D-02  0.691314D+00
      3   0.952680D+00 -0.295873D+00 -0.128292D+01  0.106773D-01  0.951840D+00
                96            97            98            99           100 
      1   0.106773D-01  0.126970D+01 -0.278972D-01 -0.916944D+00  0.957553D+01
      2   0.951840D+00 -0.278972D-01  0.158748D+01  0.191730D+01 -0.260677D+01
      3  -0.153457D+00 -0.916944D+00  0.191730D+01  0.876590D+01  0.308533D+01
               101           102           103           104           105 
      1  -0.260677D+01  0.308533D+01 -0.738690D+00  0.154868D+01  0.499151D+00
      2   0.181942D+01 -0.872942D+00  0.154868D+01 -0.167165D+01 -0.268971D+00
      3  -0.872942D+00  0.146124D+01  0.499151D+00 -0.268971D+00  0.433144D-01
               106           107           108           109           110 
      1   0.546114D+01 -0.870088D+00  0.144320D+01  0.117502D+01 -0.119187D+01
      2  -0.870088D+00 -0.583726D-01  0.153992D-02 -0.119187D+01 -0.843973D+00
      3   0.144320D+01  0.153992D-02  0.102057D+01  0.182648D+00 -0.113210D+01
               111           112           113           114           115 
      1   0.182648D+00 -0.150443D+01  0.153391D+01  0.429440D+00  0.735340D-01
      2  -0.113210D+01  0.153391D+01 -0.846245D+01 -0.316441D+01 -0.132038D+00
      3  -0.590556D+00  0.429440D+00 -0.316441D+01 -0.182738D+01 -0.258344D+00
               116           117           118           119           120 
      1  -0.132038D+00 -0.258344D+00 -0.602653D+00 -0.924091D+00 -0.486406D+00
      2  -0.427003D+01 -0.161445D+01 -0.924091D+00 -0.961916D+00 -0.445831D+00
      3  -0.161445D+01 -0.123871D+01 -0.486406D+00 -0.445831D+00 -0.756918D+00
               121           122           123           124           125 
      1  -0.165449D+01 -0.563082D+00 -0.549875D+00  0.137915D+00 -0.522226D+00
      2  -0.563082D+00 -0.554392D+01 -0.347360D+01 -0.522226D+00 -0.267837D+01
      3  -0.549875D+00 -0.347360D+01 -0.296483D+01 -0.594991D+00 -0.281890D+01
               126           127           128           129           130 
      1  -0.594991D+00 -0.252140D+01 -0.157966D+01 -0.502831D+01 -0.205333D+01
      2  -0.281890D+01 -0.157966D+01  0.133569D+01  0.135545D+00  0.221161D+01
      3  -0.363781D+01 -0.502831D+01  0.135545D+00  0.233769D+01  0.623915D+00
               131           132           133           134           135 
      1   0.221161D+01  0.623915D+00 -0.474614D+01  0.508446D+00  0.232423D+01
      2   0.709097D+01 -0.940201D+00  0.508446D+00  0.226765D+00 -0.275389D+01
      3  -0.940201D+00 -0.309835D+01  0.232423D+01 -0.275389D+01 -0.207277D-01
               136           137           138           139           140 
      1   0.325821D+00 -0.254543D+01 -0.463693D+01 -0.398316D+01  0.375557D+01
      2  -0.254543D+01  0.131132D+01  0.650187D-01  0.375557D+01  0.710454D+01
      3  -0.463693D+01  0.650187D-01  0.202270D+01  0.261745D+00  0.107858D+01
               141           142           143           144           145 
      1   0.261745D+00 -0.678696D+01  0.109927D+01  0.341841D+01 -0.635159D+01
      2   0.107858D+01  0.109927D+01  0.269675D+00 -0.258482D+01  0.450069D+01
      3  -0.298514D+01  0.341841D+01 -0.258482D+01  0.288211D+01  0.101290D+01
               146           147           148           149           150 
      1   0.450069D+01  0.101290D+01  0.334024D+01 -0.392688D+01 -0.216394D+00
      2  -0.476639D+01 -0.593183D+00 -0.392688D+01  0.531982D+01  0.931534D+00
      3  -0.593183D+00 -0.813928D+00 -0.216394D+00  0.931534D+00  0.652553D+00
               151           152           153           154           155 
      1   0.110170D+01 -0.383373D+00 -0.934849D+00 -0.463167D+01  0.895382D+00
      2  -0.383373D+00  0.112512D+01  0.125195D+01  0.895382D+00 -0.100684D+01
      3  -0.934849D+00  0.125195D+01  0.376837D+00 -0.338638D+01  0.710100D+00
               156           157           158           159           160 
      1  -0.338638D+01 -0.320430D+00 -0.431910D+00  0.875286D-01 -0.291195D+01
      2   0.710100D+00 -0.431910D+00  0.118436D+00 -0.736088D+00  0.632180D+00
      3  -0.405231D+01  0.875286D-01 -0.736088D+00  0.420321D+00 -0.336025D+01
               161           162           163           164           165 
      1   0.632180D+00 -0.336025D+01  0.302067D+01  0.204589D+01 -0.258989D+01
      2  -0.997268D+00  0.123990D+01  0.204589D+01  0.281925D+01 -0.224655D+01
      3   0.123990D+01 -0.556757D+01 -0.258989D+01 -0.224655D+01  0.311234D+01
               166           167           168           169           170 
      1   0.108745D+01  0.199050D+01 -0.129772D+01 -0.118600D+01 -0.111448D+01
      2   0.199050D+01  0.296562D+01 -0.221149D+01 -0.111448D+01 -0.148405D+01
      3  -0.129772D+01 -0.221149D+01  0.250245D+01  0.132715D+01  0.221965D+01
               171           172           173           174           175 
      1   0.132715D+01  0.529093D+01  0.644939D+00  0.177446D+01  0.844260D+00
      2   0.221965D+01  0.644939D+00  0.904632D+00 -0.228270D+00  0.462964D+00
      3  -0.347335D+01  0.177446D+01 -0.228270D+00  0.272510D+01 -0.704781D-01
               176           177           178           179           180 
      1   0.462964D+00 -0.704781D-01  0.159288D+01  0.529159D-01  0.148298D+01
      2  -0.331816D+00  0.425567D+00  0.529159D-01  0.368144D+00  0.178032D+00
      3   0.425567D+00  0.583384D+00  0.148298D+01  0.178032D+00  0.212110D+01
               181           182           183           184           185 
      1  -0.449627D+00 -0.991385D+00  0.770003D+00 -0.135425D+01 -0.184758D+01
      2  -0.991385D+00 -0.100516D+01  0.179855D+00 -0.184758D+01 -0.883234D+01
      3   0.770003D+00  0.179855D+00 -0.611791D+00  0.452066D+00  0.230395D+01
               186           187           188           189           190 
      1   0.452066D+00  0.214536D+00 -0.142345D+00 -0.373130D+00 -0.382332D+01
      2   0.230395D+01 -0.142345D+00 -0.579021D-01 -0.720508D+00  0.506200D+00
      3  -0.182335D+01 -0.373130D+00 -0.720508D+00  0.408644D+00  0.362080D+01
               191           192           193           194           195 
      1   0.506200D+00  0.362080D+01  0.156325D+01 -0.961471D+00 -0.126667D+01
      2  -0.106542D+01 -0.205520D+00 -0.961471D+00  0.222318D+00  0.103300D+01
      3  -0.205520D+00 -0.425570D+01 -0.126667D+01  0.103300D+01  0.238971D+01
               196           197           198           199           200 
      1   0.254766D+01 -0.247156D+00 -0.321850D+01 -0.141126D+01  0.761701D+00
      2  -0.247156D+00  0.616830D+00  0.777359D+00  0.761701D+00 -0.348433D+00
      3  -0.321850D+01  0.777359D+00  0.572036D+01 -0.119046D+01  0.312650D+00
               201           202           203           204           205 
      1  -0.119046D+01  0.175637D+01 -0.713815D+00  0.589895D+00 -0.256955D+01
      2   0.312650D+00 -0.713815D+00  0.333352D+00 -0.117076D+01  0.406571D-01
      3  -0.163425D+01  0.589895D+00 -0.117076D+01  0.175166D+01 -0.275667D+01
               206           207           208           209           210 
      1   0.406571D-01 -0.275667D+01 -0.762678D+01  0.103636D+01  0.275519D+01
      2  -0.130115D+01  0.137384D+01  0.103636D+01 -0.863879D+00 -0.518065D+00
      3   0.137384D+01 -0.577942D+01  0.275519D+01 -0.518065D+00 -0.180068D+01
               211           212           213           214           215 
      1   0.339158D+01 -0.181947D+01 -0.887503D+00  0.610137D+01 -0.687398D+00
      2  -0.181947D+01  0.291258D+00  0.583876D+00 -0.687398D+00  0.927393D+00
      3  -0.887503D+00  0.583876D+00  0.107647D+01 -0.291518D+01  0.739864D+00
               216           217           218           219           220 
      1  -0.291518D+01 -0.133651D+01 -0.101623D+01  0.202448D+00 -0.326472D+01
      2   0.739864D+00 -0.101623D+01 -0.856098D+00 -0.554143D-01 -0.386414D+01
      3   0.226865D+01  0.202448D+00 -0.554143D-01 -0.192340D+00 -0.550894D+00
               221           222           223           224           225 
      1  -0.386414D+01 -0.550894D+00  0.407050D+00 -0.253596D+00 -0.937910D+00
      2  -0.845806D+01 -0.807864D+00 -0.253596D+00 -0.440955D+00 -0.782051D+00
      3  -0.807864D+00 -0.955954D+00 -0.937910D+00 -0.782051D+00 -0.489121D+00
               226           227           228           229           230 
      1   0.281952D+01  0.245894D+01 -0.109867D+01  0.192609D+01  0.164680D+01
      2   0.245894D+01  0.287199D+01 -0.714042D+00  0.164680D+01  0.464243D+01
      3  -0.109867D+01 -0.714042D+00  0.104499D+01 -0.858425D+00 -0.117336D+01
               231           232           233           234 
      1  -0.858425D+00 -0.190768D+01 -0.134151D+01  0.160888D+01
      2  -0.117336D+01 -0.134151D+01 -0.359348D+01  0.130269D+01
      3   0.752845D+00  0.160888D+01  0.130269D+01 -0.189364D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.206691D+01 -0.197977D+01  0.308915D+01  0.694838D+00 -0.396126D+01
      2  -0.695101D+01  0.745374D+01 -0.485398D+01  0.662243D+01  0.533548D+01
      3   0.912523D+01 -0.899547D+01 -0.734716D+01 -0.307972D+01  0.597420D+01
                 6             7             8             9            10 
      1  -0.982241D+00  0.384387D+01  0.100733D+02  0.304448D+01 -0.200439D+01
      2  -0.314893D+00 -0.102658D+02 -0.627836D+01 -0.949415D-01  0.211915D+01
      3  -0.180201D+01 -0.105312D+02 -0.297791D+01 -0.303647D+01 -0.988313D+00
                11            12            13            14            15 
      1  -0.330106D+01 -0.455072D+01 -0.317043D+01 -0.115029D+02 -0.426407D+01
      2  -0.237062D+01  0.551820D-01 -0.334319D+01  0.244751D+01  0.821318D+00
      3   0.857985D+01  0.496449D+01  0.122131D+02 -0.557295D+01 -0.263891D+00
                16            17            18            19            20 
      1  -0.530100D+01  0.573230D+01  0.158815D+02 -0.211654D+01  0.272740D+01
      2  -0.496391D+01  0.577393D+00 -0.567971D+01  0.200891D+01  0.737730D+01
      3   0.690669D+01  0.420034D+00  0.323730D+01  0.435939D+01 -0.152497D+01
                21            22            23            24            25 
      1  -0.716814D+01 -0.163852D+01 -0.951228D+01  0.793373D+01 -0.890898D+01
      2  -0.608231D+01  0.273774D+01 -0.814436D+01  0.889005D+01 -0.145049D+02
      3  -0.529026D+01  0.115189D+02 -0.179721D+02  0.867486D+01  0.100541D+01
                26            27            28            29            30 
      1   0.143691D+02  0.217078D+01 -0.927877D+01 -0.733367D+00  0.631036D+01
      2   0.744490D+01 -0.201007D+01 -0.848792D+01  0.378772D+01  0.805844D+01
      3   0.303132D+01  0.760813D-01  0.846839D+01 -0.146941D+02  0.468702D+01
                31            32            33            34            35 
      1  -0.332270D+01  0.118190D+02 -0.952068D+01  0.182308D+01 -0.260825D+00
      2  -0.248235D+01  0.162913D+02 -0.926946D+01 -0.149543D+01 -0.427217D+01
      3  -0.331541D+00  0.523882D+01 -0.130541D+02  0.942683D+01 -0.175099D+02
                36            37            38            39            40 
      1   0.293793D+01 -0.952283D+00 -0.223163D+01  0.327603D+01 -0.473627D+01
      2  -0.247788D+01  0.124636D+02 -0.839120D+01 -0.267957D+01 -0.367687D+01
      3   0.204661D+01 -0.235688D+01  0.291325D+00  0.171211D+01  0.899997D+01
                41            42            43            44            45 
      1   0.827237D+01 -0.969601D+01  0.683098D+01 -0.489720D+01 -0.282164D+01
      2   0.357663D+01 -0.216454D+01 -0.176006D+02  0.505467D+01  0.402363D+01
      3  -0.464909D+01 -0.190163D+01  0.272124D+01  0.746689D+00 -0.233622D+01
                46            47            48            49            50 
      1   0.422173D+01 -0.439594D+00 -0.174320D+01 -0.188779D+01 -0.437192D+01
      2  -0.154036D+02  0.178000D+01  0.959598D+01  0.381349D+01 -0.107644D+01
      3   0.483239D+01 -0.112353D+02 -0.235781D+01 -0.173578D+01 -0.151442D+02
                51            52            53            54            55 
      1  -0.107890D+01 -0.409669D+01  0.815304D+01  0.104092D+01  0.393146D+01
      2  -0.372421D+01  0.526636D+01 -0.862254D+01  0.432658D+01  0.278981D+01
      3  -0.173661D+01 -0.593657D+01  0.127427D+01  0.836489D+01 -0.350400D+01
                56            57            58            59            60 
      1   0.175679D+01  0.548588D+01  0.239342D+01  0.462914D+01 -0.497780D+01
      2   0.232300D+01  0.390029D+01  0.147818D+01  0.245811D+01 -0.167959D+01
      3  -0.428435D+01 -0.421550D+01  0.364709D+01  0.143416D+02 -0.234298D+01
                61            62            63            64            65 
      1   0.328992D+01  0.218731D+01 -0.121456D+02 -0.200050D+01  0.381185D+01
      2  -0.105456D+01 -0.232443D+01 -0.576237D+01 -0.194160D+01 -0.564978D+01
      3  -0.570806D+01 -0.453661D+01 -0.361832D+01  0.112537D+01 -0.738320D+01
                66            67            68            69            70 
      1  -0.107938D+02  0.712164D+01 -0.913164D+01  0.468360D+01 -0.761056D+01
      2   0.120563D+02 -0.281677D+01 -0.742662D+01  0.952602D+01  0.412064D+01
      3   0.819263D+01 -0.197297D+01 -0.826516D+00  0.340068D+01  0.529127D+01
                71            72            73            74            75 
      1   0.764368D+01  0.909166D+01 -0.305635D+01  0.532305D+00 -0.299949D+01
      2   0.724305D+01  0.712175D+01  0.263128D+01  0.163849D+01  0.629944D+01
      3   0.143937D+01  0.179469D+01  0.388622D+01 -0.396795D+01  0.222140D+01
                76            77            78            79            80 
      1   0.224097D+00  0.103931D+00 -0.175092D+00 -0.324739D+01  0.110256D+01
      2  -0.604841D+00  0.495800D+00 -0.927489D+00  0.317978D+01  0.223920D+01
      3  -0.243044D+00  0.221926D+01 -0.107258D+01  0.478701D+01 -0.238162D+01
                81            82            83            84            85 
      1  -0.459181D+01  0.167860D+01  0.194240D+01  0.832959D-01  0.127941D+01
      2   0.911596D+01 -0.100114D+01 -0.110827D+01  0.152926D+01 -0.177436D+01
      3   0.251281D+01  0.208331D+01 -0.508136D-01 -0.634477D+00  0.588690D+01
                86            87            88            89            90 
      1   0.978863D+01 -0.488279D+01  0.137843D+00 -0.234027D+01  0.120472D+00
      2  -0.147479D+01  0.839314D+00 -0.524853D-01  0.483974D+00  0.167998D+00
      3  -0.273659D+01  0.393277D+00 -0.195590D+01  0.648282D+00 -0.559369D+00
                91            92            93            94            95 
      1  -0.244533D+01 -0.460659D+00  0.296111D+01 -0.685617D+00 -0.143988D+01
      2   0.139244D+01  0.503085D+00 -0.640792D+00  0.120935D+01  0.641045D+00
      3  -0.223926D+01 -0.227201D+01  0.170996D+01 -0.614845D+00  0.110072D+01
                96            97            98            99           100 
      1   0.141216D+01  0.251096D+01  0.162455D+01 -0.185006D+02  0.803189D+01
      2  -0.535160D+00 -0.561269D+01  0.872915D+00  0.582784D+01  0.110944D+02
      3  -0.564171D+00  0.378436D+01 -0.727838D+00 -0.224797D+01 -0.110334D+02
               101           102           103           104           105 
      1  -0.110363D+01  0.348279D+01  0.359940D+00  0.331607D+00 -0.867486D-01
      2  -0.508208D+01  0.851488D+01  0.133907D+01 -0.140625D+01  0.470070D+00
      3  -0.309798D+01 -0.385521D+01 -0.111988D+01  0.119701D+01 -0.386294D-01
               106           107           108           109           110 
      1   0.335993D+01  0.746096D+00  0.142100D+01  0.206851D+01 -0.196616D+01
      2   0.243834D+01  0.222211D+01  0.505209D+01 -0.170967D+00 -0.289374D+01
      3  -0.925263D+01  0.110239D+01 -0.193517D+01  0.240460D+01  0.350384D+01
               111           112           113           114           115 
      1  -0.185498D+01  0.153572D+01 -0.285590D+01 -0.563251D+01 -0.210923D+01
      2  -0.891719D+00 -0.142650D+01 -0.748626D+01 -0.385720D+01 -0.841975D+00
      3   0.263191D+01  0.181679D+01  0.197784D+02  0.810072D+01  0.122257D+01
               116           117           118           119           120 
      1   0.133107D+01 -0.326764D+01  0.653718D+00  0.662488D+00 -0.719399D-01
      2  -0.500868D+01 -0.222175D+01 -0.543635D+00 -0.430786D+00  0.106968D+01
      3   0.126032D+02  0.416584D+01 -0.751151D-02 -0.109792D+01 -0.230286D+00
               121           122           123           124           125 
      1  -0.406260D+00  0.597939D+01 -0.125651D+01 -0.914988D-02  0.357709D+01
      2  -0.297494D+01 -0.207600D+00  0.318388D+00 -0.259032D+01 -0.582897D+00
      3   0.512314D+01  0.367325D-01  0.238783D+00  0.134686D+01  0.166079D+00
               126           127           128           129           130 
      1  -0.776572D+00 -0.952035D+01  0.230072D+01  0.289646D+01  0.616132D+01
      2  -0.406109D+00  0.143054D+02  0.129266D+01  0.101944D+02  0.241601D+01
      3   0.260710D+00  0.243965D+01  0.158937D+01  0.710028D+01  0.612685D+01
               131           132           133           134           135 
      1   0.153466D+02 -0.953081D+01  0.338745D+01 -0.557084D+00 -0.669860D+01
      2  -0.212288D+01  0.274698D+01  0.533291D+01  0.341537D+01 -0.441393D+01
      3   0.762226D+01 -0.120872D+01  0.697824D+01  0.233988D+00 -0.622359D+01
               136           137           138           139           140 
      1  -0.249151D+01 -0.621784D-01  0.273267D+01 -0.131189D+01 -0.153435D+01
      2   0.129911D+02 -0.205468D+01 -0.830598D+01 -0.323801D+01 -0.204961D+01
      3  -0.878312D+01  0.573746D+01  0.373468D+01  0.162257D+02  0.212193D+02
               141           142           143           144           145 
      1  -0.539929D+01  0.436313D+01 -0.927029D+00  0.425758D+01 -0.174127D+01
      2   0.958551D+01 -0.202388D+02  0.943745D+01 -0.114403D+02 -0.569944D-01
      3   0.375001D+01  0.420947D+01  0.283732D+01 -0.123226D+02 -0.742268D+01
               146           147           148           149           150 
      1   0.303673D+00  0.321194D+01  0.457560D+00 -0.147636D+01 -0.421796D+01
      2   0.668843D+00  0.358231D+01 -0.570982D+00 -0.567510D+00 -0.234817D+01
      3  -0.113558D+01  0.901584D+00  0.502400D+01  0.145949D+00  0.224648D+00
               151           152           153           154           155 
      1   0.174413D+01 -0.665547D+00 -0.627515D+00  0.313996D+01  0.301434D+01
      2  -0.346014D+00 -0.122093D+01 -0.567306D+00 -0.102300D+02  0.326402D+00
      3   0.172580D+01  0.112154D+01 -0.133962D+00 -0.607973D+01 -0.193603D+01
               156           157           158           159           160 
      1   0.431887D+01  0.102883D+01  0.131776D+01 -0.643377D+00  0.331838D+01
      2  -0.266907D+01 -0.600762D+00 -0.647920D+00 -0.826357D+00 -0.674372D+01
      3  -0.343785D+01  0.100392D+01 -0.118943D-01 -0.399156D+00 -0.333579D+01
               161           162           163           164           165 
      1   0.250696D+01  0.360177D+01 -0.175987D+01 -0.488778D+01 -0.366152D+00
      2  -0.116674D+00 -0.239854D+01  0.982044D+01  0.510339D+01 -0.414520D+01
      3  -0.120327D+01 -0.322191D+01  0.599010D+01  0.175576D+01 -0.357699D+01
               166           167           168           169           170 
      1  -0.223046D+01 -0.386430D+01 -0.147071D+01  0.400555D+00  0.246559D+01
      2   0.452601D+01  0.508246D+01 -0.322493D+01 -0.466914D+01 -0.329128D+01
      3   0.474948D+01  0.207892D+01 -0.249423D+01 -0.281825D+01 -0.454267D+00
               171           172           173           174           175 
      1   0.107445D+00  0.430182D+01  0.352597D+01  0.232381D+01  0.232433D+01
      2   0.292302D+01 -0.186350D+02 -0.182076D+01 -0.357328D+01 -0.213596D+01
      3   0.232684D+01 -0.736693D+01 -0.230990D+01 -0.259450D+01  0.532193D+00
               176           177           178           179           180 
      1   0.943107D+00  0.346672D+00  0.227195D+01  0.221794D+01  0.239032D+01
      2  -0.169400D+01 -0.650811D+00 -0.661415D+01 -0.778881D+00 -0.405932D+01
      3  -0.105549D+01 -0.226237D-01 -0.251205D+01 -0.879775D+00 -0.156847D+01
               181           182           183           184           185 
      1  -0.107740D+01 -0.187110D+01 -0.611671D+00 -0.327698D+01 -0.165253D+02
      2  -0.831220D+00  0.939804D+00  0.582673D+00  0.280466D+01 -0.422400D+00
      3  -0.130166D+01 -0.118068D+01  0.110949D+00  0.308706D+01 -0.931253D+01
               186           187           188           189           190 
      1  -0.128198D+01 -0.479516D+00  0.536538D+00 -0.109679D+01  0.543565D+01
      2   0.204587D+01 -0.970074D+00  0.230717D+00  0.359070D+00  0.406539D+01
      3   0.252892D+01 -0.219521D+00 -0.416041D+00 -0.206451D+00  0.384122D+01
               191           192           193           194           195 
      1  -0.401525D+01 -0.521965D+01 -0.309169D+01  0.221871D+01  0.349814D+01
      2  -0.110898D+01  0.681580D+00 -0.236618D+01 -0.765261D-03 -0.124971D+01
      3  -0.360685D+01 -0.366607D+01 -0.162890D+01  0.137651D+01  0.224781D+01
               196           197           198           199           200 
      1  -0.429624D+01  0.461076D+01  0.747299D+01 -0.159883D+01  0.799478D+00
      2  -0.508774D+01  0.509492D-01 -0.963598D+00  0.293099D+01 -0.735977D-01
      3  -0.298784D+01  0.229018D+01  0.388753D+01  0.290212D+01 -0.192413D+01
               201           202           203           204           205 
      1  -0.100116D+01  0.460621D+00 -0.172456D+01  0.152068D+01 -0.134751D+01
      2   0.497199D+01  0.665845D+00  0.358139D+01 -0.665217D+01  0.309062D+01
      3   0.155683D+01 -0.120981D+01  0.213021D+01 -0.415358D+01  0.109325D+01
               206           207           208           209           210 
      1   0.469211D+01 -0.534361D+01  0.188019D+01 -0.940067D+00 -0.894571D+00
      2  -0.564240D+01  0.181899D+02 -0.100133D+02  0.182847D+01  0.996371D+01
      3  -0.577075D+01  0.670592D+01  0.850464D+01 -0.648377D+01 -0.320383D+01
               211           212           213           214           215 
      1  -0.379722D+00  0.880321D+00 -0.291969D+00 -0.187585D+01  0.171543D+01
      2   0.346330D+01 -0.232462D+01 -0.452892D+01  0.859225D+01 -0.293180D+01
      3  -0.508550D+01  0.227307D+01  0.213506D+01 -0.476164D+01  0.467147D+01
               216           217           218           219           220 
      1   0.933146D+00  0.522838D+00  0.390399D+00 -0.497210D+00  0.352571D+00
      2  -0.897337D+01 -0.707724D+00 -0.291628D-01  0.192572D+01  0.485338D+00
      3   0.427428D+01 -0.270602D+01 -0.370757D+01 -0.537717D+00 -0.514305D+01
               221           222           223           224           225 
      1   0.268423D+01 -0.386498D+01 -0.508892D+00  0.497907D+00 -0.410898D+00
      2   0.119376D+01  0.376228D+01  0.177558D+01  0.137770D+01  0.118939D+01
      3  -0.244735D+02 -0.190057D+01 -0.106649D+01 -0.164967D+01 -0.140142D+01
               226           227           228           229           230 
      1   0.211011D+01  0.222444D+01 -0.239966D+01  0.165300D+01  0.303393D+01
      2  -0.354776D+01 -0.345734D+01  0.466243D+01 -0.354969D+01 -0.405141D+01
      3  -0.202749D+01 -0.242877D+01  0.869655D+00  0.259170D+01 -0.912337D+01
               231           232           233           234 
      1  -0.394289D+01 -0.163680D+01 -0.427560D+01  0.236352D+01
      2   0.294780D+01  0.347406D+01  0.456584D+01 -0.691690D+01
      3   0.134965D+01  0.586903D+00  0.592154D+01 -0.841616D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.810957D+01 -0.106077D+02 -0.713616D+01 -0.222295D+01  0.153539D-01
      2   0.734438D+01  0.643560D+01  0.963727D+01  0.272971D+00  0.792145D+00
      3   0.765193D+00  0.417210D+01 -0.250111D+01  0.194998D+01 -0.807498D+00
      4  -0.815717D+01 -0.189013D+02  0.250816D+01 -0.454124D+01 -0.248096D+02
      5  -0.101421D+02  0.181924D+00 -0.176486D+02  0.706202D+01  0.488707D+01
      6  -0.177985D+01  0.882797D+01 -0.204005D+01  0.478984D+01  0.395035D+01
                 6             7             8             9            10 
      1   0.870094D+01 -0.883137D+01  0.826561D+01 -0.140850D+02 -0.581128D+01
      2  -0.273782D+01  0.130011D+02  0.251460D+00  0.120562D+02  0.512419D+01
      3  -0.596312D+01 -0.416976D+01 -0.851707D+01  0.202878D+01  0.687092D+00
      4   0.779866D+01  0.801009D+01  0.194397D+02 -0.117904D+02 -0.144439D+01
      5   0.142539D+01 -0.226993D+02 -0.549061D+01 -0.906685D+01  0.232975D+01
      6  -0.292296D+01 -0.611189D+01 -0.756953D+01 -0.736625D+00  0.778733D+01
                11            12            13            14            15 
      1   0.926670D+01 -0.154606D+01  0.141586D+02  0.233838D+02 -0.266590D+01
      2  -0.137433D+02 -0.262363D+00 -0.168040D+02 -0.469901D+02  0.561102D+00
      3   0.447659D+01  0.180842D+01  0.264539D+01  0.236063D+02  0.210479D+01
      4  -0.385998D+01  0.215680D+01  0.268298D+01 -0.145825D+02 -0.654882D+00
      5   0.145570D+01  0.800671D+00  0.164212D+01 -0.375829D+01  0.812286D+00
      6  -0.187241D+01  0.746840D+01 -0.374136D+01 -0.310051D+01  0.459511D+01
                16            17            18            19            20 
      1  -0.206723D+01 -0.479167D+01  0.159675D+02 -0.178197D+02  0.963533D+01
      2  -0.356725D+01  0.123652D+02  0.806948D+01 -0.739448D+01  0.129817D+02
      3   0.563448D+01 -0.757357D+01 -0.240370D+02  0.252142D+02 -0.226171D+02
      4   0.205469D+01 -0.231975D+01  0.389281D+01  0.601351D+02 -0.424791D+02
      5   0.467764D+01  0.788415D+00  0.330013D+01  0.274570D+02 -0.739269D+01
      6   0.592616D+01  0.140224D+01 -0.189531D+02 -0.120251D+02  0.146787D+01
                21            22            23            24            25 
      1   0.152200D+02  0.250581D+02 -0.192608D+02 -0.133565D+02 -0.242201D+01
      2  -0.118715D+02 -0.330684D+01 -0.775623D+01  0.185675D+02 -0.609204D+00
      3  -0.334850D+01 -0.217513D+02  0.270170D+02 -0.521102D+01  0.303121D+01
      4  -0.800607D+01 -0.522511D+02  0.663149D+02  0.711015D-01 -0.353347D+01
      5  -0.121864D+02 -0.222042D+02  0.423662D+01  0.188473D+02  0.116417D+02
      6   0.118238D+02  0.899227D+01  0.386708D+01 -0.724580D+01 -0.138539D+00
                26            27            28            29            30 
      1  -0.297772D+01 -0.397075D+01  0.840890D+01 -0.113010D+02 -0.261114D+02
      2   0.643183D+01 -0.876958D+01  0.424413D+01 -0.920358D+01  0.182065D+02
      3  -0.345411D+01  0.127403D+02 -0.126530D+02  0.205046D+02  0.790494D+01
      4  -0.319216D+01  0.798866D+01 -0.397169D+02  0.485017D+02  0.217106D+02
      5   0.667389D+00 -0.429719D+01 -0.477368D+02  0.184814D+02  0.211018D+02
      6   0.824587D+01 -0.130239D+01  0.231470D+02 -0.126262D+02 -0.113101D+02
                31            32            33            34            35 
      1  -0.171435D+02  0.209759D+02  0.196451D+02 -0.387275D+02  0.264219D+02
      2  -0.912243D+01  0.757859D+01 -0.256969D+02  0.258201D+02 -0.310964D+02
      3   0.262659D+02 -0.285545D+02  0.605176D+01  0.129074D+02  0.467448D+01
      4   0.580567D+02 -0.562961D+02  0.912465D+01  0.175202D+02  0.123782D+02
      5   0.115599D+02  0.103914D+02 -0.156559D+02  0.261068D+02 -0.198800D+02
      6  -0.587427D+01 -0.221387D+02  0.955030D+01 -0.157689D+02  0.147572D+02
                36            37            38            39            40 
      1   0.341593D+01  0.491599D+01 -0.685312D+01  0.243301D+01 -0.125534D+02
      2  -0.496777D+01  0.611496D+01  0.253019D+00 -0.540244D+01 -0.392010D+00
      3   0.155185D+01 -0.110309D+02  0.660010D+01  0.296943D+01  0.129454D+02
      4  -0.185507D+02 -0.342958D+02  0.107180D+02  0.446390D+01  0.695661D+01
      5  -0.121914D+02 -0.497683D+01 -0.282917D+00 -0.824865D+00  0.479500D+01
      6  -0.141479D+01  0.526209D+01 -0.864665D+01 -0.394284D+01 -0.963226D+01
                41            42            43            44            45 
      1   0.281766D+02  0.748873D+01  0.188460D+02  0.508970D+01  0.411760D+01
      2  -0.732846D+01 -0.368847D+01 -0.121086D+02 -0.765682D+01 -0.219233D+00
      3  -0.208481D+02 -0.380025D+01 -0.673739D+01  0.256712D+01 -0.389836D+01
      4  -0.109100D+02 -0.252759D+01  0.145758D+02 -0.648060D+01 -0.646018D+01
      5  -0.703301D+01  0.287990D+01 -0.841912D+01  0.410628D+01 -0.217132D+01
      6  -0.235570D+01 -0.221603D+02 -0.126151D+01 -0.180935D+02 -0.125715D+01
                46            47            48            49            50 
      1  -0.163074D+02 -0.681175D+01 -0.150928D+02 -0.299488D+01 -0.479510D+00
      2   0.946704D+00  0.414695D+01  0.131726D+02  0.795952D+01  0.169248D+01
      3   0.153607D+02  0.266480D+01  0.192022D+01 -0.496464D+01 -0.121297D+01
      4   0.263756D+01  0.434064D+01 -0.955520D+01  0.971442D+00  0.226564D+02
      5  -0.167512D+02 -0.150631D+01  0.987797D+01 -0.749844D+00 -0.155103D+01
      6  -0.645218D+01  0.153359D+00  0.376180D+01  0.101171D+01 -0.878007D+01
                51            52            53            54            55 
      1  -0.738051D+01 -0.211133D+02 -0.482434D+01  0.106630D+02 -0.434780D+01
      2  -0.427878D+01  0.155824D+02  0.186733D+01 -0.743638D+01 -0.864055D+01
      3   0.116593D+02  0.553091D+01  0.295702D+01 -0.322658D+01  0.129884D+02
      4  -0.161508D+01 -0.211880D+02 -0.319306D+00  0.143266D+01  0.197786D+02
      5  -0.522756D+01  0.129311D+02 -0.567200D+01  0.247721D+01  0.533779D+01
      6   0.348426D+01  0.402868D+01 -0.730819D+00  0.759883D+00 -0.583469D+01
                56            57            58            59            60 
      1   0.329664D+01  0.420475D+01 -0.350047D+01 -0.148154D+02  0.118042D+01
      2   0.131008D+02 -0.567503D+01  0.115660D+02  0.663399D+01  0.155780D+01
      3  -0.163974D+02  0.147028D+01 -0.806556D+01  0.818140D+01 -0.273822D+01
      4  -0.240681D+02 -0.551004D+01 -0.236682D+02  0.110493D+02  0.647343D+01
      5  -0.397178D+01 -0.100329D+01 -0.713859D+01  0.692360D+01  0.277171D+01
      6  -0.155941D+01 -0.954904D+01  0.970608D+00  0.403799D+01 -0.973789D+00
                61            62            63            64            65 
      1   0.331965D+01  0.405367D+01  0.327923D+01  0.722546D+01  0.104378D+02
      2  -0.223113D+01 -0.101376D+02  0.561308D+01  0.627717D+01 -0.727629D+01
      3  -0.108852D+01  0.608393D+01 -0.889231D+01 -0.135026D+02 -0.316150D+01
      4  -0.136566D+01  0.889597D+01 -0.275694D+01  0.162218D+00 -0.518777D+01
      5   0.104885D+01  0.205598D+00 -0.929784D+00 -0.537803D+01  0.805428D+01
      6  -0.534100D+01  0.295191D+01  0.124911D+02  0.131363D+02  0.164571D+02
                66            67            68            69            70 
      1  -0.426817D+01  0.175825D+02 -0.108970D+02 -0.189107D+01  0.775805D+00
      2   0.156622D+02 -0.475819D+01  0.439548D+01 -0.710665D+01  0.121231D+02
      3  -0.113940D+02 -0.128243D+02  0.650148D+01  0.899771D+01 -0.128989D+02
      4   0.797675D+01 -0.410180D+01 -0.394391D+01  0.374170D+01 -0.569338D+00
      5  -0.179545D+02  0.134580D+01  0.963982D+01 -0.101192D+02 -0.161259D+02
      6  -0.156469D+01  0.147269D+02 -0.133067D+02 -0.502898D+00  0.219911D+01
                71            72            73            74            75 
      1  -0.599332D+01 -0.631363D+01  0.242284D+02  0.268013D+01  0.116513D+02
      2   0.731446D+00 -0.224720D+01 -0.185000D+02 -0.232303D+01 -0.121557D+02
      3   0.526188D+01  0.856083D+01 -0.572836D+01 -0.357097D+00  0.504404D+00
      4   0.659008D+01  0.316548D+01  0.875137D+01  0.940032D+01  0.586641D+01
      5  -0.278156D+01 -0.528210D+01  0.208832D+02  0.371959D+01  0.186654D+02
      6  -0.330721D+01  0.225855D+01  0.267267D+01  0.130295D+01  0.361616D+01
                76            77            78            79            80 
      1  -0.498838D+01  0.103734D+01 -0.269423D+01  0.144383D+02 -0.353801D+00
      2   0.457005D+01 -0.344368D+00  0.343476D+01 -0.158225D+02 -0.369552D+00
      3   0.418333D+00 -0.692967D+00 -0.740530D+00  0.138418D+01  0.723353D+00
      4   0.610390D+01  0.104184D+01  0.265464D+01  0.705589D+01  0.334490D+01
      5  -0.319246D+01  0.371340D+01 -0.247438D+01  0.235211D+02  0.543632D+01
      6   0.229674D+01 -0.109198D+00  0.389775D+01  0.406848D+01  0.481389D+01
                81            82            83            84            85 
      1   0.802408D+01 -0.459549D+00 -0.265009D+01 -0.307276D+00 -0.435217D+01
      2  -0.168512D+02  0.690831D+01  0.890085D+01  0.100206D+01  0.108612D+02
      3   0.882709D+01 -0.644876D+01 -0.625076D+01 -0.694784D+00 -0.650907D+01
      4   0.846307D+01  0.718530D+01  0.146937D+02  0.944241D+00  0.115358D+02
      5   0.266979D+02  0.160517D+01  0.242058D+01  0.212363D+01  0.207936D+01
      6   0.538280D+01  0.992484D+00  0.263527D+01  0.586623D+00  0.343102D+01
                86            87            88            89            90 
      1  -0.412070D+02 -0.374654D+01  0.415210D+00  0.300734D+01 -0.563072D+01
      2   0.757879D+02  0.365640D+01 -0.940619D+00 -0.822808D+01  0.460702D+01
      3  -0.345809D+02  0.901423D-01  0.525409D+00  0.522074D+01  0.102370D+01
      4   0.233212D+02  0.213982D+01 -0.136495D+01 -0.257690D+01  0.146786D+01
      5   0.314868D+01  0.178018D+01  0.107055D+01  0.203302D+01 -0.230563D+00
      6   0.148565D+02  0.912818D+01  0.450170D+00  0.854030D+01  0.171316D+01
                91            92            93            94            95 
      1  -0.928185D+00  0.105265D+01  0.342250D+01 -0.173896D+01 -0.591002D+01
      2  -0.358063D+01 -0.217500D+00 -0.155597D+00  0.810698D+00  0.579610D+01
      3   0.450882D+01 -0.835154D+00 -0.326690D+01  0.928263D+00  0.113913D+00
      4  -0.184756D+01  0.336554D+01  0.307141D+01  0.645297D+00 -0.292002D+00
      5  -0.210013D+01  0.936901D+00  0.655014D+01 -0.320280D+00 -0.118357D+00
      6   0.229931D+01 -0.251026D+01 -0.503400D+01 -0.101737D+01  0.350849D+01
                96            97            98            99           100 
      1  -0.154330D+01  0.443198D+01 -0.857695D+01 -0.261854D+02  0.627606D+02
      2   0.344837D+01  0.103539D+01  0.298061D+01 -0.130471D+02 -0.286507D+02
      3  -0.190507D+01 -0.546737D+01  0.559634D+01  0.392325D+02 -0.341099D+02
      4  -0.183784D+00  0.352515D+01  0.280711D+00 -0.287647D-01 -0.335073D+02
      5  -0.582853D+00  0.498205D+01  0.682712D+00  0.227952D+01  0.191837D+02
      6   0.494151D+01 -0.270017D+01  0.126235D+02  0.301945D+02 -0.111026D+02
               101           102           103           104           105 
      1  -0.115733D+02  0.162425D+02 -0.136361D+01  0.475448D+01  0.116452D+01
      2   0.202029D+01 -0.818835D+01 -0.357229D+01  0.293988D+01 -0.401103D+00
      3   0.955298D+01 -0.805419D+01  0.493591D+01 -0.769437D+01 -0.763418D+00
      4   0.182899D+02 -0.105248D+02  0.132373D+02 -0.102561D+02 -0.450044D+00
      5  -0.627456D+01  0.111549D+02  0.369902D+01 -0.143407D+01 -0.220092D+00
      6   0.413850D+01 -0.599797D+01 -0.599459D+00  0.169521D+01  0.153655D+01
               106           107           108           109           110 
      1   0.333774D+02 -0.834726D+01  0.818485D+01  0.439471D+01 -0.997453D+01
      2  -0.182607D+02  0.385661D+01 -0.667734D+01  0.180683D+01  0.653256D+01
      3  -0.151167D+02  0.449064D+01 -0.150752D+01 -0.620154D+01  0.344197D+01
      4  -0.145448D+02  0.271410D+01 -0.326596D+01 -0.558864D+01  0.459352D+01
      5   0.922182D+01  0.306882D+00  0.894270D+01  0.156640D+01 -0.278092D+01
      6  -0.371703D+01  0.124473D+01 -0.285977D+01 -0.248697D-01  0.653391D+01
               111           112           113           114           115 
      1  -0.280213D+01 -0.251572D+01 -0.254678D+02 -0.108274D+02  0.618309D+00
      2   0.280618D+01 -0.261312D+01  0.426248D+02  0.135420D+02 -0.257064D+01
      3  -0.404517D-02  0.512884D+01 -0.171570D+02 -0.271470D+01  0.195233D+01
      4  -0.259864D+01  0.130637D+02 -0.321566D+02 -0.117528D+02 -0.291478D+00
      5  -0.106503D+01  0.340409D+01 -0.142056D+02 -0.841167D+01  0.163087D+00
      6   0.364450D+01 -0.382986D+01  0.226664D+02  0.131918D+02  0.842675D+00
               116           117           118           119           120 
      1  -0.167746D+02 -0.907283D+01 -0.672504D-01 -0.142299D+01 -0.164587D+01
      2   0.219714D+02  0.734820D+01  0.148811D+00  0.458758D+00  0.318942D+00
      3  -0.519687D+01  0.172463D+01 -0.815603D-01  0.964230D+00  0.132692D+01
      4  -0.118330D+02 -0.404945D+01  0.254926D+01  0.800936D+01  0.382209D+01
      5  -0.555701D+01 -0.354528D+01  0.730201D+00  0.485165D+01  0.605487D+01
      6   0.115876D+02  0.876722D+01  0.499633D+01  0.204469D+01  0.300444D+01
               121           122           123           124           125 
      1  -0.340940D+01 -0.188154D+02 -0.134251D+02 -0.572708D+00 -0.106604D+02
      2   0.184446D+01  0.155561D+02  0.588063D+01  0.606684D+00  0.251974D+01
      3   0.156493D+01  0.325930D+01  0.754449D+01 -0.339765D-01  0.814065D+01
      4   0.637357D+01  0.541383D+01  0.304626D+01  0.724387D+00  0.217427D+01
      5   0.351115D+01  0.162972D+01  0.223117D+01  0.325397D+01  0.157519D+01
      6   0.233477D+01  0.230985D+02  0.196501D+02  0.271307D+01  0.170760D+02
               126           127           128           129           130 
      1  -0.153007D+02  0.125450D+02  0.345718D+01  0.776207D+01  0.647541D+01
      2  -0.102717D+01  0.114574D+02 -0.649919D+01 -0.139905D+02 -0.138366D+02
      3   0.163278D+02 -0.240025D+02  0.304201D+01  0.622846D+01  0.736120D+01
      4   0.342908D+01  0.748938D+01  0.551168D+00  0.425410D+01 -0.147768D+01
      5   0.127935D+01  0.708765D+01 -0.481250D+01 -0.219973D+02 -0.646621D+01
      6   0.165655D+02 -0.461295D-01  0.360900D+01  0.293672D+01  0.595193D+01
               131           132           133           134           135 
      1   0.100793D+02  0.294879D+01  0.623133D+01  0.601269D+01 -0.136093D+02
      2  -0.257434D+02  0.151200D+02 -0.121575D+02  0.571639D+01  0.133138D+02
      3   0.156641D+02 -0.180688D+02  0.592612D+01 -0.117291D+02  0.295494D+00
      4  -0.193053D+02  0.215350D+01  0.580033D+01 -0.248492D+00  0.187566D+01
      5   0.458663D+01  0.110839D+02 -0.221780D+02  0.616719D+01  0.111154D+02
      6   0.227719D+02  0.889477D+00  0.989695D+00  0.512654D+01 -0.136129D+02
               136           137           138           139           140 
      1  -0.142433D+00  0.173743D+02  0.264810D+02  0.248190D+02  0.190660D+00
      2   0.281013D+01 -0.131361D+02 -0.129242D+02 -0.221764D+02 -0.152886D+02
      3  -0.266769D+01 -0.423830D+01 -0.135567D+02 -0.264267D+01  0.150980D+02
      4   0.163101D+02 -0.605830D+01  0.290735D+01 -0.127228D+02 -0.381639D+02
      5   0.280885D+02 -0.968771D+00 -0.142762D+02 -0.311854D+01 -0.424897D+01
      6   0.455280D+01 -0.869107D+00 -0.136123D+01 -0.177825D+01 -0.639709D+01
               141           142           143           144           145 
      1  -0.624764D+00  0.333451D+02 -0.198257D+01 -0.201086D+02  0.159708D+02
      2  -0.184970D+01 -0.165018D+02 -0.241658D+01  0.170063D+02  0.394841D+01
      3   0.247447D+01 -0.168434D+02  0.439916D+01  0.310237D+01 -0.199192D+02
      4  -0.358318D+01  0.409057D+01 -0.357498D+01  0.122609D+02 -0.322325D+02
      5   0.152193D+02 -0.216510D+02  0.140743D+02 -0.159965D+02 -0.429398D+01
      6   0.206258D+01 -0.215087D+01  0.288544D+01 -0.172226D+01  0.205778D+01
               146           147           148           149           150 
      1  -0.549432D+01 -0.202740D+01 -0.854493D+00 -0.461634D+01 -0.528439D+00
      2  -0.117973D+02  0.119269D+00 -0.127468D+02  0.233211D+02  0.294960D+01
      3   0.172916D+02  0.190813D+01  0.136013D+02 -0.187047D+02 -0.242116D+01
      4   0.295065D+02  0.406218D+01  0.246916D+02 -0.277112D+02 -0.362565D+01
      5   0.253565D+01  0.595125D+01  0.195543D+01 -0.274255D+01 -0.236810D+01
      6  -0.178137D+01 -0.319603D+01 -0.153598D+01  0.240611D+01  0.659953D+01
               151           152           153           154           155 
      1  -0.148641D+01 -0.443462D+00 -0.125687D+01  0.318931D+01  0.253702D+01
      2  -0.822176D-02  0.343080D+01  0.236200D+01 -0.129034D+02  0.966083D-01
      3   0.149463D+01 -0.298734D+01 -0.110512D+01  0.971405D+01 -0.263363D+01
      4   0.391479D+01 -0.403236D+01 -0.546282D+01 -0.466581D+01  0.455017D+01
      5   0.585459D+01 -0.460308D+01 -0.235024D+01  0.203412D+02 -0.534897D+01
      6  -0.418272D+01  0.828734D+01  0.867785D+00 -0.946855D+01  0.504580D+01
               156           157           158           159           160 
      1  -0.427391D+01 -0.166015D+01 -0.578022D+00  0.977844D+00 -0.322090D+01
      2  -0.127708D+02 -0.535476D+00 -0.899189D+00 -0.180322D+01 -0.111387D+02
      3   0.170447D+02  0.219563D+01  0.147721D+01  0.825372D+00  0.143596D+02
      4  -0.569437D+01  0.525869D+01 -0.157040D+01  0.258340D+01 -0.423026D+01
      5   0.197980D+02 -0.106516D+01  0.319865D+01 -0.961111D+00  0.172727D+02
      6  -0.101725D+02  0.275723D+01 -0.234925D+01  0.720162D+01 -0.701891D+01
               161           162           163           164           165 
      1   0.388549D+01 -0.117358D+02 -0.369544D+01 -0.818359D+01  0.913945D+01
      2   0.950474D+00 -0.167741D+02 -0.125561D+01  0.458287D+01  0.117887D+01
      3  -0.483597D+01  0.285099D+02  0.495105D+01  0.360072D+01 -0.103183D+02
      4   0.220338D+01 -0.379320D+01  0.840987D+01  0.844725D+01 -0.704898D+01
      5  -0.319911D+01  0.207291D+02 -0.115978D+02 -0.794948D+01  0.130304D+02
      6   0.788136D+01 -0.131569D+02 -0.101741D+02 -0.141573D+02  0.132088D+02
               166           167           168           169           170 
      1  -0.522976D+01 -0.107306D+02  0.967839D+01  0.380784D+01  0.778570D+01
      2   0.287473D+01  0.100224D+02 -0.186396D+01  0.662868D+00 -0.240773D+00
      3   0.235503D+01  0.708170D+00 -0.781444D+01 -0.447071D+01 -0.754492D+01
      4   0.782946D+01  0.602924D+01 -0.497037D+01 -0.460983D+01 -0.441554D+01
      5  -0.558304D+01 -0.691476D+01  0.534283D+01  0.906722D+01  0.500116D+01
      6  -0.899399D+01 -0.145270D+02  0.154487D+02  0.641695D+01  0.125095D+02
               171           172           173           174           175 
      1  -0.112299D+02 -0.483281D+01  0.775422D+00 -0.105483D+02 -0.118920D+01
      2  -0.343917D+01 -0.445412D+01 -0.718098D+00 -0.379127D+01  0.154390D+01
      3   0.146691D+02  0.928693D+01 -0.573245D-01  0.143396D+02 -0.354699D+00
      4   0.470917D+01 -0.940583D+01  0.364628D+00 -0.197761D+01  0.148520D+01
      5  -0.793917D+01  0.131698D+02  0.172110D+01  0.817659D+01  0.173513D+01
      6  -0.151814D+02  0.151376D+00  0.413137D+01 -0.545905D+01  0.208897D+01
               176           177           178           179           180 
      1  -0.306792D+01 -0.577250D+00 -0.614228D+01 -0.202878D+00 -0.631961D+01
      2   0.382452D+01 -0.274336D+01 -0.273426D+01 -0.118932D+01 -0.629739D+01
      3  -0.756608D+00  0.332061D+01  0.887654D+01  0.139220D+01  0.126170D+02
      4   0.124546D+01  0.915503D-01 -0.241398D+01  0.509525D+00 -0.306183D+01
      5   0.160804D+01 -0.168471D+01  0.100146D+02  0.152156D+00  0.496215D+01
      6  -0.173839D+01  0.229633D+01 -0.221955D+01  0.259784D+01 -0.173375D+01
               181           182           183           184           185 
      1  -0.462939D+00  0.146871D+01 -0.527225D+00 -0.893206D+00 -0.210781D+02
      2   0.163017D+01  0.178705D+01  0.148606D+01  0.564223D+01  0.382446D+02
      3  -0.116723D+01 -0.325576D+01 -0.958831D+00 -0.474903D+01 -0.171665D+02
      4   0.435359D+01  0.834505D+01 -0.254275D+01  0.107406D+02  0.218746D+02
      5  -0.261575D+01 -0.333513D+01  0.509634D+01 -0.447926D+01 -0.614768D+01
      6  -0.311386D+01 -0.333480D+01  0.116717D+01 -0.627537D+01 -0.308089D+02
               186           187           188           189           190 
      1   0.844197D+01  0.292794D+00  0.195268D+01 -0.267463D+01  0.868109D+01
      2  -0.584651D+01  0.193096D+01  0.171256D+01  0.897134D+00 -0.175049D+02
      3  -0.259546D+01 -0.222375D+01 -0.366524D+01  0.177749D+01  0.882383D+01
      4  -0.556874D+01  0.136272D+00  0.880052D+00  0.209011D+01  0.265426D+01
      5   0.425699D+01  0.309157D+01  0.136487D+01 -0.189525D+01 -0.236855D+02
      6   0.142399D+02  0.119584D+01  0.651926D+01 -0.309494D+01 -0.330079D+00
               191           192           193           194           195 
      1  -0.209998D+01 -0.138583D+01 -0.326452D+01 -0.763930D+00 -0.157074D+01
      2   0.389582D+01  0.172655D+02  0.708510D+01 -0.841648D+00 -0.911954D+01
      3  -0.179584D+01 -0.158797D+02 -0.382058D+01  0.160558D+01  0.106903D+02
      4   0.385548D+01 -0.335438D+01  0.301075D+01 -0.656235D+00 -0.297043D+01
      5   0.276706D+01  0.256129D+02  0.895912D+01 -0.575479D+01 -0.102559D+02
      6  -0.526119D+01  0.178610D+01 -0.438846D+01  0.181241D+01  0.526385D+01
               196           197           198           199           200 
      1  -0.117244D+01 -0.338469D+00 -0.673833D+01  0.926305D+01 -0.410865D+01
      2   0.139024D+02 -0.362297D+01 -0.224746D+02 -0.812489D+01  0.320500D+01
      3  -0.127300D+02  0.396144D+01  0.292129D+02 -0.113816D+01  0.903643D+00
      4  -0.223464D+01 -0.271309D+01  0.179961D+01 -0.286175D+01  0.289448D+01
      5   0.204835D+02 -0.315619D+01 -0.266059D+02  0.847125D+01 -0.312939D+01
      6   0.587732D+00  0.549465D+01 -0.916813D+00 -0.596118D+00  0.487694D+00
               201           202           203           204           205 
      1   0.586200D+01 -0.993276D+01  0.995339D+00 -0.210859D+01  0.128796D+02
      2  -0.633225D+01  0.674303D+01 -0.185564D+00  0.360114D+01 -0.111231D+02
      3   0.470247D+00  0.318973D+01 -0.809775D+00 -0.149256D+01 -0.175658D+01
      4  -0.176439D+01  0.458256D+01 -0.181033D+01  0.613989D+01  0.222098D+00
      5   0.142121D+02 -0.517964D+01  0.594934D+01 -0.103418D+02  0.209512D+02
      6   0.576106D+00  0.819509D+00 -0.133833D+01  0.237721D+01  0.243263D+01
               206           207           208           209           210 
      1  -0.475034D+00  0.710736D+01  0.549738D+02 -0.920403D+01 -0.184155D+02
      2   0.354190D+01 -0.173135D+02 -0.300968D+02  0.563521D+01  0.104819D+02
      3  -0.306686D+01  0.102061D+02 -0.248770D+02  0.356882D+01  0.793358D+01
      4   0.800322D+01 -0.543613D+01 -0.250219D+01  0.849409D+01  0.121862D+01
      5  -0.736986D+01  0.339047D+02 -0.196961D+02  0.314918D+01  0.158628D+02
      6   0.278176D+01  0.348271D+01 -0.193452D+01  0.774261D-01  0.190577D+01
               211           212           213           214           215 
      1  -0.200556D+02  0.722685D+01  0.490897D+01 -0.345499D+02  0.426838D+01
      2   0.118614D+02 -0.180786D+01 -0.279842D+01  0.201646D+02 -0.270433D+01
      3   0.819427D+01 -0.541900D+01 -0.211055D+01  0.143853D+02 -0.156405D+01
      4   0.109993D+02 -0.222477D+01 -0.410693D+01 -0.504466D+00 -0.661772D+01
      5   0.638656D+01 -0.400515D+01 -0.732284D+01  0.222693D+02 -0.488755D+01
      6  -0.759459D+00  0.149378D+01  0.139269D+01  0.173812D+01  0.121219D+01
               216           217           218           219           220 
      1   0.149185D+02  0.738530D+01  0.562057D+01 -0.111255D+01  0.984674D+01
      2  -0.122623D+02 -0.513410D+00 -0.649678D+00  0.981079D+00  0.464181D+01
      3  -0.265622D+01 -0.687189D+01 -0.497090D+01  0.131472D+00 -0.144886D+02
      4  -0.278061D+01  0.811261D+01  0.120488D+02  0.101062D+01  0.273155D+02
      5  -0.166951D+02 -0.691406D+00  0.168618D+01  0.320579D+01  0.426477D+01
      6  -0.129174D+01  0.756290D+00  0.839055D+00  0.246138D+00  0.342486D+01
               221           222           223           224           225 
      1  -0.442335D+01  0.315451D+00 -0.291467D+01 -0.194718D+00  0.132035D+01
      2   0.267093D+02  0.870600D+00  0.131007D+01  0.764539D+00  0.172485D+00
      3  -0.222860D+02 -0.118605D+01  0.160460D+01 -0.569821D+00 -0.149284D+01
      4   0.498052D+02  0.455208D+01  0.116820D+01  0.290360D+01  0.432579D+01
      5   0.476047D+01  0.660895D+01  0.660203D+01  0.423104D+01  0.289887D+01
      6   0.790751D+01  0.687548D+01  0.288979D+01  0.633793D+01  0.149705D+01
               226           227           228           229           230 
      1   0.160515D+02  0.116262D+02 -0.497513D+01  0.745082D+01  0.279441D+01
      2  -0.564691D+01 -0.294092D+01  0.108027D+01  0.530739D+00  0.622829D+01
      3  -0.104046D+02 -0.868531D+01  0.389486D+01 -0.798156D+01 -0.902269D+01
      4   0.194043D+02  0.233059D+02 -0.629608D+01  0.159789D+02  0.276447D+02
      5  -0.640409D+01 -0.310787D+01  0.728303D+01 -0.290220D+01 -0.675910D+01
      6  -0.492910D+01 -0.513329D+01  0.389494D+01 -0.498820D+01 -0.602250D+01
               231           232           233           234 
      1  -0.324416D+01 -0.968011D+01 -0.453931D+01  0.549869D+01
      2  -0.178891D+01  0.351286D+01 -0.216325D+01 -0.337662D+01
      3   0.503307D+01  0.616725D+01  0.670256D+01 -0.212206D+01
      4  -0.837908D+01 -0.119475D+02 -0.219938D+02  0.105361D+02
      5   0.236615D+01  0.960508D+01  0.751220D+01 -0.920825D+01
      6   0.678524D+01  0.583976D+01  0.854560D+01 -0.564574D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.286513D+00      0.728243D+00      0.242916D+01
   x         -0.168839D+00     -0.429147D+00     -0.143148D+01
   y          0.226577D+00      0.575901D+00      0.192100D+01
   z          0.473898D-01      0.120453D+00      0.401787D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112325D+03      0.166448D+02      0.185199D+02
   aniso      0.232743D+02      0.344890D+01      0.383742D+01
   xx         0.122601D+03      0.181675D+02      0.202141D+02
   yx        -0.680292D+01     -0.100809D+01     -0.112165D+01
   yy         0.114486D+03      0.169651D+02      0.188763D+02
   zx         0.723190D+00      0.107166D+00      0.119238D+00
   zy         0.113236D+01      0.167799D+00      0.186701D+00
   zz         0.998872D+02      0.148018D+02      0.164692D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.121360D+03      0.179838D+02      0.200096D+02
   aniso      0.264032D+02      0.391254D+01      0.435329D+01
   xx         0.132757D+03      0.196726D+02      0.218887D+02
   yx        -0.829223D+01     -0.122878D+01     -0.136720D+01
   yy         0.123722D+03      0.183337D+02      0.203990D+02
   zx         0.182114D+00      0.269865D-01      0.300265D-01
   zy         0.109994D+01      0.162995D+00      0.181356D+00
   zz         0.107602D+03      0.159450D+02      0.177412D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.33100666          1.44816817         -0.61672476
     6          2.77415654          0.63443705          2.14191318
     6          1.13438583          0.99788014         -2.40675749
     6          1.42459406          0.70720937         -4.88421922
     6         -1.38923463          0.90353706         -1.12383393
     6         -1.41208659         -1.34937142          0.82114988
     6         -0.06958325          0.54123161          2.65117599
     6         -1.37968134          2.71407979          1.18912524
     1          5.03469097          0.53452756         -1.33097481
     1          3.66353713          1.97073413          3.43941300
     1          3.60920599         -1.20909455          2.54050336
     1          3.27635778          0.71341487         -5.75842682
     1         -0.18634061          0.46131706         -6.12263668
     1         -2.94951664          1.00303233         -2.46655509
     6         -0.07228597         -3.78657803          0.09461033
     6         -4.09007279         -1.98614496          1.69035016
     1         -0.47404998          0.33014532          4.66334082
     1         -3.27255609          3.11748811          1.87343031
     1         -0.35499570          4.48996516          0.99710201
     1          1.82453921         -3.48426918         -0.63741466
     1         -1.13875948         -4.77312340         -1.37294088
     1          0.06148988         -5.04786272          1.72557715
     1         -5.17006994         -0.32631715          2.25201642
     1         -4.02811122         -3.26930168          3.30780736
     1         -5.13111708         -2.93281434          0.17910265
     1          3.72850942          3.47546463         -0.63009167

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.286513D+00      0.728243D+00      0.242916D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.286513D+00      0.728243D+00      0.242916D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112325D+03      0.166448D+02      0.185199D+02
   aniso      0.232743D+02      0.344890D+01      0.383742D+01
   xx         0.110728D+03      0.164082D+02      0.182566D+02
   yx         0.550057D+01      0.815101D+00      0.906922D+00
   yy         0.102846D+03      0.152401D+02      0.169569D+02
   zx        -0.651804D+01     -0.965875D+00     -0.107468D+01
   zy        -0.532585D+00     -0.789209D-01     -0.878113D-01
   zz         0.123401D+03      0.182861D+02      0.203460D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.121360D+03      0.179838D+02      0.200096D+02
   aniso      0.264032D+02      0.391254D+01      0.435329D+01
   xx         0.118591D+03      0.175733D+02      0.195529D+02
   yx         0.591920D+01      0.877135D+00      0.975945D+00
   yy         0.111092D+03      0.164621D+02      0.183165D+02
   zx        -0.741536D+01     -0.109884D+01     -0.122263D+01
   zy        -0.885279D+00     -0.131185D+00     -0.145963D+00
   zz         0.134399D+03      0.199159D+02      0.221594D+02

 ----------------------------------------------------------------------
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 A MATHEMATICIAN IS A MACHINE FOR TURNING COFFEE INTO THEOREMS.
     -- QUOTED BY PAUL ERDOS
 Job cpu time:       0 days  4 hours 54 minutes 39.4 seconds.
 Elapsed time:       0 days  0 hours 24 minutes 37.6 seconds.
 File lengths (MBytes):  RWF=    430 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul  9 20:56:57 2021.
